atk:quantumatk平面波dft计算引擎介绍
媒体管理器
命名空间
选择命名空间
媒体文件
在 adf 中的文件
- 0c21832b-3e87-4eae-85ff-88907244af1a.png
- 1319×888
- 2023/08/08 14:23
- 140.6 KB
- 01.jpg
- 1008×673
- 2015/07/14 16:53
- 73.8 KB
- 01099b93-273a-4d2f-b1ea-5f073af7fc39.png
- 678×811
- 2021/02/03 18:05
- 26.6 KB
- 037ccee9-bd8d-42d6-b008-a16956236847.png
- 1427×1216
- 2021/07/12 22:12
- 115.9 KB
- 06difussion.rar
- 2023/10/05 17:15
- 916 B
- 07e92d28-3a16-4bb0-8003-921a3907bec5.png
- 559×574
- 2022/07/02 22:22
- 14.9 KB
- 09bb97ac-e383-4421-8460-b0e6f293686e.png
- 467×292
- 2022/08/22 18:00
- 7.1 KB
- 09c96d97-668.png
- 1181×830
- 2022/02/16 16:48
- 39.2 KB
- 1.png
- 1534×942
- 2019/06/27 17:28
- 476.3 KB
- 1a1.png
- 1028×936
- 2016/05/20 13:38
- 260.6 KB
- 1d-peda01.png
- 996×672
- 2016/03/24 17:19
- 89 KB
- 1d-peda02.png
- 996×670
- 2016/03/24 17:22
- 71.3 KB
- 1d-peda03.png
- 998×673
- 2016/03/24 17:25
- 96.8 KB
- 1d-peda04.png
- 1609×853
- 2020/11/30 16:34
- 217.8 KB
- 1d-peda05.png
- 1608×854
- 2020/11/30 16:34
- 204.8 KB
- 1d-peda06.png
- 1610×852
- 2020/11/30 16:34
- 279.8 KB
- 1d-peda07.png
- 1613×860
- 2020/11/30 16:44
- 211.3 KB
- 1d-peda08.png
- 1211×765
- 2020/11/30 16:44
- 150.9 KB
- 1d-peda09.png
- 1221×773
- 2020/11/30 16:44
- 142.9 KB
- 1d-peda10.png
- 1216×1039
- 2020/11/30 16:44
- 314.6 KB
- 1d-peda66.png
- 1420×785
- 2020/11/30 16:44
- 229.4 KB
- 1d-peda67.png
- 1412×784
- 2020/11/30 16:44
- 166.1 KB
- 1hnmrwithssc01.png
- 1922×1967
- 2018/04/09 01:24
- 164.4 KB
- 1hnmrwithssc02.png
- 1353×710
- 2019/12/06 22:58
- 140.8 KB
- 1hnmrwithssc03.png
- 1419×854
- 2019/12/06 22:05
- 156.7 KB
- 1hnmrwithssc04.png
- 725×904
- 2018/04/09 01:40
- 257.9 KB
- 1hnmrwithssc05.png
- 1250×750
- 2019/12/06 23:13
- 170.5 KB
- 1hnmrwithssc06.png
- 1225×868
- 2019/12/06 23:13
- 205.2 KB
- 1hnmrwithssc07.png
- 933×613
- 2018/04/09 01:51
- 322.6 KB
- 1hnmrwithssc08.png
- 641×853
- 2018/04/09 01:51
- 52.2 KB
- 1hnmrwithssc09.png
- 1479×1036
- 2019/12/06 23:13
- 201.4 KB
- 2.png
- 315×182
- 2017/12/07 16:42
- 6.2 KB
- 2a1.png
- 714×208
- 2016/05/20 13:42
- 35 KB
- 2d-peda01.png
- 271×41
- 2016/03/24 15:11
- 7 KB
- 2d-peda02.png
- 323×159
- 2016/03/24 15:14
- 3.9 KB
- 2d-peda03.png
- 381×405
- 2016/03/24 15:20
- 39.1 KB
- 2d-peda04.png
- 996×672
- 2016/03/24 15:24
- 87.4 KB
- 2d-peda05.png
- 354×309
- 2016/03/24 15:27
- 40.5 KB
- 2d-peda06.png
- 1410×858
- 2020/11/30 15:24
- 219.6 KB
- 2d-peda07.png
- 1409×856
- 2020/11/30 15:24
- 218.2 KB
- 2d-peda08.png
- 1408×863
- 2020/11/30 15:24
- 210.2 KB
- 2d-peda09.png
- 1408×859
- 2020/11/30 15:24
- 220.4 KB
- 3b12fb56_bbdd8b7_09-12-19-52-05_.png
- 672×718
- 2018/09/12 19:56
- 214.4 KB
- 3d-peda01.png
- 484×52
- 2016/03/23 22:26
- 11.5 KB
- 3d-peda02.png
- 356×89
- 2016/03/23 22:27
- 3.2 KB
- 3d-peda03.png
- 478×615
- 2016/03/23 22:29
- 13 KB
- 3d-peda04.png
- 125×176
- 2016/03/23 22:36
- 2.3 KB
- 3d-peda05.png
- 515×671
- 2016/03/23 22:39
- 88.7 KB
- 3d-peda06.png
- 517×645
- 2020/11/30 15:08
- 117.7 KB
- 3d-peda07.png
- 328×287
- 2016/03/23 22:47
- 76.6 KB
- 3d-peda08.png
- 318×297
- 2016/03/23 22:54
- 60.8 KB
- 3d-peda09.png
- 517×672
- 2016/03/23 22:57
- 82.1 KB
- 3d-peda10.png
- 387×394
- 2016/03/23 23:16
- 85 KB
- 3d-peda11.png
- 1407×754
- 2020/11/30 15:17
- 799.7 KB
- 3d-peda12.png
- 1410×748
- 2020/11/30 15:19
- 859.8 KB
- 3d-peda13.png
- 1408×757
- 2020/11/30 15:19
- 805.9 KB
- 3d-peda14.png
- 1408×755
- 2020/11/30 15:19
- 860.8 KB
- 3d-peda15.png
- 1408×790
- 2019/12/09 13:54
- 735.2 KB
- 3d-rism01.png
- 720×678
- 2019/12/07 13:28
- 64.4 KB
- 3d-rism02.png
- 996×468
- 2015/11/26 18:50
- 62.8 KB
- 3d-rism03.png
- 645×528
- 2015/11/26 19:10
- 29.5 KB
- 3d-rism04.png
- 1061×481
- 2015/11/26 19:17
- 30.7 KB
- 3f45278e-f935-4180-a735-a38692e740ac.png
- 460×309
- 2022/08/22 18:01
- 8.3 KB
- 4.png
- 939×544
- 2017/04/13 22:30
- 112.2 KB
- 5ab2e60d-6c93-49b0-8b5e-8f6ee1ac5411.png
- 618×238
- 2020/02/19 13:01
- 32.1 KB
- 25be5126-5d43-449b-aa9f-a1067196e439.png
- 1200×800
- 2020/11/23 12:40
- 601 KB
- 35d60a3d5b634cbbab9417e3283beeda.png
- 215×75
- 2023/10/19 21:21
- 3.9 KB
- 69c4824f-a770-4d41-bd7d-dcbbb84a02a4.png
- 2488×2130
- 2024/05/27 09:59
- 599.4 KB
- 80a945b4-c6f2-420f-9d00-6f1a6c581356.png
- 890×872
- 2022/12/22 18:51
- 16.6 KB
- 81a803a6-d82a-437d-93ee-c29c7bbd3ff4.png
- 3090×1165
- 2023/08/02 20:39
- 314.3 KB
- 198k-nvt-10ps.rar
- 2019/12/18 22:34
- 181.1 KB
- 876ee3e4-fdc9-4835-9adc-eb6e123126cb.png
- 3102×1543
- 2023/08/02 20:36
- 377.5 KB
- 910fd420-77a9-49b2-891d-55e11a748d5c.png
- 1464×445
- 2024/03/25 10:09
- 128.5 KB
- 1582d4e1-acdc-41f6-9d60-6596fb0fbfde.png
- 1316×1879
- 2023/12/04 14:57
- 202.7 KB
- 2020adf-dftmd01.png
- 1350×747
- 2020/11/24 13:05
- 116.3 KB
- 2020adf-dftmd02.png
- 1352×748
- 2020/11/24 13:05
- 115.5 KB
- 2020adf-dftmd03.png
- 1345×750
- 2020/11/25 11:30
- 149.2 KB
- 2020adf-dftmd04.png
- 1327×640
- 2020/11/24 13:26
- 118.2 KB
- 2020adf-dftmd05.png
- 894×488
- 2020/11/24 13:26
- 50.9 KB
- 2020adfinput01.png
- 1362×795
- 2020/11/12 11:22
- 107.2 KB
- 2020adfinput02.png
- 1365×1054
- 2020/11/12 11:26
- 174.4 KB
- 2020basicoperations-lfdft01.png
- 1367×664
- 2020/12/02 16:34
- 111.3 KB
- 2020basicoperations-lfdft02.png
- 1366×661
- 2020/12/02 16:34
- 95 KB
- 2020basicoperations-lfdft03.png
- 1366×671
- 2020/12/02 16:34
- 97.2 KB
- 2020basis01.png
- 720×846
- 2020/11/12 12:05
- 61.9 KB
- 2020basisset01.png
- 1386×804
- 2020/11/12 12:44
- 151.5 KB
- 2020basisset02.png
- 1347×1108
- 2020/11/12 12:44
- 275.2 KB
- 2020bondoder01.png
- 1354×753
- 2020/11/24 13:44
- 109.3 KB
- 2020bondoder02.png
- 1352×753
- 2020/11/24 13:44
- 80.3 KB
- 2020bondoder03.png
- 1344×747
- 2020/11/24 13:44
- 91.6 KB
- 2020bond_boost_01.png
- 1251×247
- 2020/11/26 15:05
- 22.9 KB
- 2020bond_boost_02.png
- 1315×821
- 2020/11/26 15:16
- 173.6 KB
- 2020bond_boost_03.png
- 1092×114
- 2020/11/26 15:34
- 11.2 KB
- 2020bond_boost_04.png
- 1406×711
- 2020/11/26 15:48
- 217.5 KB
- 2020bond_boost_05.png
- 1405×737
- 2020/11/26 15:48
- 219.9 KB
- 2020bond_boost_06.png
- 1860×714
- 2020/11/26 15:48
- 253.2 KB
- 2020bond_boost_07.png
- 1411×707
- 2020/11/26 15:56
- 229 KB
- 2020bond_boost_08.png
- 336×163
- 2020/11/26 15:56
- 7.8 KB
- 2020bond_boost_09.png
- 806×275
- 2020/11/26 16:01
- 19.9 KB
- 2020bond_boost_10.png
- 1391×839
- 2021/03/10 19:51
- 269.3 KB
- 2020bond_boost_11.png
- 1454×876
- 2021/01/24 14:20
- 289.9 KB
- 2020bond_boost_12.png
- 718×529
- 2020/11/26 16:32
- 52.2 KB
- 2020bond_boost_13.png
- 722×870
- 2020/11/26 16:32
- 79.7 KB
- 2020bond_boost_14.png
- 718×589
- 2020/11/26 16:32
- 61.9 KB
- 2020bond_boost_15.png
- 1920×1017
- 2020/11/26 16:32
- 217.1 KB
- 2020bsse01.png
- 1845×814
- 2020/11/21 12:02
- 217 KB
- 2020bsse02.png
- 1845×812
- 2020/11/21 12:02
- 221.8 KB
- 2020cdd_excitation03.png
- 1354×695
- 2020/12/01 23:24
- 86.6 KB
- 2020cdd_ground02.png
- 1363×729
- 2020/11/17 20:38
- 160 KB
- 2020cdd_ground03.png
- 1363×732
- 2020/11/17 20:38
- 172.3 KB
- 2020cdd_ground04.png
- 1364×730
- 2020/11/17 20:38
- 186 KB
- 2020cdd_ground05.png
- 984×653
- 2020/11/17 20:44
- 108.6 KB
- 2020cdd_ground06.png
- 984×997
- 2020/11/17 20:44
- 96.7 KB
- 2020cdd_ground07.png
- 985×646
- 2020/11/17 20:44
- 154.3 KB
- 2020cdft01.png
- 1525×760
- 2020/11/13 21:57
- 165 KB
- 2020cdft02.png
- 1521×757
- 2020/11/13 21:57
- 139.5 KB
- 2020cdft03.png
- 1522×760
- 2020/11/13 21:57
- 166 KB
- 2020cdft04.png
- 859×932
- 2020/11/13 21:57
- 102.6 KB
- 2020cdft05.png
- 1342×922
- 2020/11/13 22:01
- 70.5 KB
- 2020coskf01.png
- 1372×746
- 2020/11/18 17:38
- 118.6 KB
- 2020coskf02.png
- 1222×892
- 2020/11/18 17:41
- 172.1 KB
- 2020ct01.png
- 1378×767
- 2020/11/16 22:06
- 171.6 KB
- 2020ct02.png
- 1378×766
- 2020/11/16 22:09
- 195.4 KB
- 2020ct03.png
- 1375×764
- 2020/11/16 22:09
- 180.3 KB
- 2020ct04.png
- 1369×754
- 2020/11/16 22:09
- 176.8 KB
- 2020density01.png
- 1080×707
- 2020/11/18 16:50
- 131.9 KB
- 2020density02.png
- 1074×702
- 2020/11/18 16:50
- 157 KB
- 2020density03.png
- 1141×707
- 2020/11/18 16:50
- 388 KB
- 2020dftmd01.png
- 1574×939
- 2020/11/24 20:04
- 152.7 KB
- 2020dftmd02.png
- 1575×940
- 2020/11/24 20:04
- 158.8 KB
- 2020dftmd03.png
- 1571×931
- 2020/11/24 20:07
- 161.2 KB
- 2020dftmd04.png
- 1571×939
- 2020/11/24 20:10
- 249.1 KB
- 2020dftmd05.png
- 1573×935
- 2020/11/24 20:14
- 253.5 KB
- 2020dftmd06.png
- 1571×932
- 2020/11/24 20:14
- 250.6 KB
- 2020dftmd07.png
- 1570×935
- 2020/11/24 20:14
- 238.2 KB
- 2020dftmd08.png
- 720×518
- 2020/11/25 11:36
- 64.6 KB
- 2020dftmd09.png
- 1490×758
- 2020/11/24 20:26
- 187.5 KB
- 2020difussionfunction01.png
- 1827×665
- 2020/11/27 17:13
- 487.8 KB
- 2020difussionfunction02.png
- 1798×674
- 2020/11/27 17:13
- 503.5 KB
- 2020difussionfunction03.png
- 1194×521
- 2022/03/10 19:28
- 189.3 KB
- 2020edn01.png
- 1454×828
- 2024/01/25 20:15
- 169.4 KB
- 2020edn02.png
- 1450×823
- 2024/01/25 20:15
- 126.2 KB
- 2020edn03.png
- 1453×822
- 2024/01/25 20:17
- 126.3 KB
- 2020effectivemass01.png
- 1397×869
- 2020/12/07 22:36
- 145 KB
- 2020effectivemass02.png
- 1395×872
- 2020/12/07 22:36
- 135.4 KB
- 2020effectivemass03.png
- 1394×863
- 2020/12/07 22:36
- 124.8 KB
- 2020effectivemass04.png
- 1394×867
- 2020/12/07 22:36
- 124.3 KB
- 2020effectivemass05.png
- 1914×1111
- 2020/12/07 23:57
- 301.2 KB
- 2020etsnocv01.png
- 1368×720
- 2020/11/22 12:29
- 166.8 KB
- 2020etsnocv02.png
- 1365×727
- 2020/11/22 12:22
- 137.4 KB
- 2020etsnocv03.png
- 1367×722
- 2020/11/22 12:22
- 155.1 KB
- 2020etsnocv04.png
- 1363×722
- 2020/11/22 12:22
- 146.8 KB
- 2020etsnocv05.png
- 1365×731
- 2020/11/22 12:22
- 150.3 KB
- 2020etsnocv06.png
- 1068×757
- 2020/11/22 12:59
- 118.2 KB
- 2020etsnocv07.png
- 1066×749
- 2020/11/22 12:59
- 428.7 KB
- 2020etsnocvcloseshell01.png
- 1361×746
- 2020/11/22 21:54
- 104.8 KB
- 2020etsnocvcloseshell02.png
- 1366×747
- 2020/11/22 21:54
- 83 KB
- 2020etsnocvcloseshell03.png
- 1365×746
- 2020/11/22 21:54
- 94.1 KB
- 2020etsnocvcloseshell04.png
- 1365×745
- 2020/11/22 21:54
- 87.7 KB
- 2020etsnocvcloseshell05.png
- 1043×790
- 2020/11/22 22:06
- 652.6 KB
- 2020etsnocvcloseshell06.png
- 1133×751
- 2020/11/22 22:12
- 433.2 KB
- 2020exdipole01.png
- 1371×723
- 2020/12/01 23:39
- 163.3 KB
- 2020exdipole02.png
- 1373×730
- 2020/12/01 23:39
- 180.6 KB
- 2020exdipole03.png
- 1377×724
- 2020/12/01 23:39
- 153.4 KB
- 2020exdipole04.png
- 1370×722
- 2020/12/01 23:39
- 181.6 KB
- 2020fdeforsolvation04.png
- 1365×669
- 2020/12/02 14:58
- 178 KB
- 2020fdeforsolvation05.png
- 1361×681
- 2020/12/02 15:08
- 197.1 KB
- 2020fdeforsolvation06.png
- 1362×686
- 2020/12/02 15:08
- 208.5 KB
- 2020fdeforsolvation07.png
- 1364×677
- 2020/12/02 15:08
- 211.6 KB
- 2020fdeforsolvation08.png
- 1357×674
- 2020/12/02 15:08
- 212.4 KB
- 2020fdeforsolvation09.png
- 1368×680
- 2020/12/02 15:08
- 188.9 KB
- 2020fdeforsolvation10.png
- 1363×672
- 2020/12/02 15:08
- 180.9 KB
- 2020fragment01.png
- 1350×717
- 2020/11/21 10:59
- 179.9 KB
- 2020fragment02.png
- 1351×720
- 2020/11/21 10:59
- 209.1 KB
- 2020fragment03.png
- 1349×717
- 2020/11/21 10:59
- 192.3 KB
- 2020fragment04.png
- 1348×711
- 2020/11/21 11:27
- 49.4 KB
- 2020freeenergyofsolvation01.png
- 1342×769
- 2020/11/23 14:38
- 142.9 KB
- 2020freeenergyofsolvation02.png
- 1345×763
- 2020/11/23 14:38
- 147.4 KB
- 2020freeenergyofsolvation03.png
- 719×559
- 2020/11/23 15:22
- 47.4 KB
- 2020frequencies01.png
- 1346×762
- 2020/11/16 20:16
- 129.5 KB
- 2020frequencies02.png
- 1342×762
- 2020/11/16 20:16
- 119 KB
- 2020frequencies03.png
- 1347×675
- 2020/11/16 20:43
- 158.8 KB
- 2020fukui02.png
- 1371×706
- 2020/12/01 15:36
- 110.7 KB
- 2020fukui03.png
- 1395×903
- 2023/09/10 22:26
- 108.5 KB
- 2020fukui04.png
- 963×655
- 2020/12/01 15:36
- 77.6 KB
- 2020fukui05.png
- 1028×790
- 2020/12/01 15:48
- 274.4 KB
- 2020geoconstaints01.png
- 1366×758
- 2020/11/12 22:00
- 171.6 KB
- 2020geoconstaints02.png
- 1406×765
- 2020/11/12 21:53
- 169.1 KB
- 2020geoconstaints03.png
- 1404×756
- 2020/11/12 22:01
- 141.3 KB
- 2020glycine01.png
- 1371×744
- 2020/11/18 17:57
- 138.7 KB
- 2020glycine02.png
- 1370×741
- 2020/11/18 18:42
- 138.4 KB
- 2020glycine03.png
- 1372×741
- 2020/11/18 18:42
- 117.8 KB
- 2020glycine04.png
- 1369×736
- 2020/11/18 18:42
- 136 KB
- 2020glycine05.png
- 1370×741
- 2020/11/18 18:42
- 132.6 KB
- 2020glycine06.png
- 1371×807
- 2020/11/18 19:00
- 184.2 KB
- 2020glycine07.png
- 1129×659
- 2020/11/18 19:00
- 90.5 KB
- 2020homo-lumo03.png
- 1344×810
- 2020/11/12 14:21
- 145.1 KB
- 2020homo-lumo07.png
- 1390×764
- 2020/11/12 14:30
- 80.6 KB
- 2020homo-lumo08.png
- 1346×929
- 2020/11/12 14:32
- 61.4 KB
- 2020homo-lumo09.png
- 1349×933
- 2020/11/12 14:33
- 145.5 KB
- 2020homo-lumo13.png
- 1348×928
- 2020/11/12 14:35
- 69.4 KB
- 2020homo-lumo15.png
- 838×672
- 2020/11/12 14:37
- 89.7 KB
- 2020homo-lumo18.png
- 834×519
- 2020/11/12 14:39
- 143.6 KB
- 2020hybrid01.png
- 1360×781
- 2020/11/20 18:11
- 148.3 KB
- 2020hybrid02.png
- 1372×811
- 2020/11/20 18:11
- 204.1 KB
- 2020hybrid03.png
- 1376×818
- 2020/11/20 18:11
- 187.6 KB
- 2020hybrid04.png
- 1400×758
- 2020/11/20 18:13
- 196.9 KB
- 2020innerelectron01.png
- 1376×728
- 2020/12/01 23:45
- 133.8 KB
- 2020innerelectron02.png
- 1341×678
- 2020/12/01 23:51
- 32.4 KB
- 2020innerelectron03.png
- 1374×729
- 2020/12/01 23:51
- 132.3 KB
- 2020innerelectron04.png
- 1373×717
- 2020/12/01 23:51
- 119.2 KB
- 2020innerelectron04_2.png
- 1375×728
- 2020/12/02 00:00
- 120.2 KB
- 2020innerelectron05.png
- 1189×639
- 2020/12/02 00:04
- 101.3 KB
- 2020ionic01.png
- 737×988
- 2020/11/28 13:04
- 113.3 KB
- 2020ionic02.png
- 1317×826
- 2020/11/28 13:30
- 92 KB
- 2020ionic03.png
- 484×502
- 2020/11/28 13:33
- 31.1 KB
- 2020ionic04.png
- 1643×902
- 2020/11/28 13:50
- 221 KB
- 2020ionic05.png
- 731×453
- 2020/11/28 13:52
- 67.1 KB
- 2020ionic06.png
- 1620×844
- 2020/11/28 14:37
- 179.4 KB
- 2020ionic07.png
- 1350×817
- 2020/11/28 14:44
- 99.7 KB
- 2020ionic08.png
- 482×495
- 2020/11/28 14:48
- 30.4 KB
- 2020ionic09.png
- 1624×594
- 2020/11/28 14:53
- 170.9 KB
- 2020ionic10.png
- 756×657
- 2020/11/28 14:57
- 33.7 KB
- 2020ionic11.png
- 1402×753
- 2020/11/28 15:29
- 89.7 KB
- 2020ionic12.png
- 1648×901
- 2020/11/28 15:37
- 207.1 KB
- 2020ionic13.png
- 446×888
- 2020/11/28 15:39
- 136.5 KB
- 2020ionic14.png
- 530×773
- 2020/11/28 15:49
- 26.8 KB
- 2020ionic15.png
- 949×694
- 2020/11/28 15:52
- 122.7 KB
- 2020ionic17.png
- 1621×734
- 2020/11/28 16:14
- 148.5 KB
- 2020ionic18.png
- 1181×826
- 2020/11/28 16:16
- 79.5 KB
- 2020ionic19.png
- 480×284
- 2020/11/28 16:19
- 25.2 KB
- 2020ionic20.png
- 1627×1112
- 2020/11/28 16:23
- 172.6 KB
- 2020ionic21.png
- 648×1851
- 2020/11/28 16:26
- 83.6 KB
- 2020ionic22.png
- 874×634
- 2020/11/28 16:28
- 51.6 KB
- 2020irc01.png
- 1353×807
- 2020/11/13 20:32
- 155.3 KB
- 2020irc02.png
- 1350×805
- 2020/11/13 20:32
- 187.1 KB
- 2020irc03.png
- 1316×865
- 2020/11/13 20:32
- 117.3 KB
- 2020irc04.png
- 1313×866
- 2020/11/13 20:32
- 117.6 KB
- 2020isotopeinadf01.png
- 1354×807
- 2020/11/13 20:54
- 114.5 KB
- 2020isotopeinadf02.png
- 1365×738
- 2020/11/21 12:10
- 116 KB
- 2020lt001.png
- 1356×727
- 2020/11/12 21:04
- 134 KB
- 2020lt002.png
- 1354×720
- 2020/11/12 21:04
- 152.4 KB
- 2020lt004.png
- 1792×967
- 2020/11/12 21:12
- 152.1 KB
- 2020lt005.png
- 1793×970
- 2020/11/12 21:12
- 174.7 KB
- 2020lt006.png
- 1300×731
- 2020/11/12 21:04
- 104.9 KB
- 2020lt007.png
- 1350×725
- 2020/11/12 21:04
- 135.4 KB
- 2020lt008.png
- 1357×724
- 2020/11/12 21:07
- 157.3 KB
- 2020lt009.png
- 1353×721
- 2020/11/12 21:09
- 146.3 KB
- 2020mbh01.png
- 1345×738
- 2020/12/01 17:46
- 119.2 KB
- 2020mbh02.png
- 1336×729
- 2020/12/01 17:46
- 144.4 KB
- 2020mbh03.png
- 1342×733
- 2020/12/01 17:46
- 142.6 KB
- 2020mbh04.png
- 1345×732
- 2020/12/01 17:46
- 123.2 KB
- 2020mbh05.png
- 1181×713
- 2020/12/01 17:46
- 102.1 KB
- 2020nbonmr02.png
- 1369×739
- 2020/11/18 19:28
- 152.4 KB
- 2020nbonmr03.png
- 1373×742
- 2020/11/18 19:28
- 156 KB
- 2020nbonmr04.png
- 1368×740
- 2020/11/18 19:28
- 169.4 KB
- 2020nbonmr05.png
- 1372×742
- 2020/11/18 19:28
- 142.7 KB
- 2020nbonmr06.png
- 1370×743
- 2020/11/18 19:28
- 147.1 KB
- 2020nbonmr07.png
- 1374×740
- 2020/11/18 19:28
- 162.6 KB
- 2020nbonmr08.png
- 925×487
- 2020/11/18 20:38
- 27.9 KB
- 2020nics00.png
- 1447×1069
- 2023/06/02 18:59
- 346.1 KB
- 2020nics01.png
- 1447×807
- 2023/06/02 19:01
- 153 KB
- 2020nics02.png
- 1443×809
- 2023/06/02 19:01
- 169.7 KB
- 2020nmrchemicalshift01.png
- 1346×767
- 2020/11/19 00:04
- 136.5 KB
- 2020nmrchemicalshift02.png
- 1338×759
- 2020/11/19 00:04
- 139.9 KB
- 2020nmrchemicalshift03.png
- 1344×762
- 2020/11/19 00:04
- 139.8 KB
- 2020nmrchemicalshift04.png
- 1343×755
- 2020/11/19 00:04
- 118.3 KB
- 2020nmrchemicalshift05.png
- 1347×767
- 2020/11/19 00:04
- 106 KB
- 2020nmrchemicalshift06.png
- 1419×1041
- 2020/11/19 00:13
- 27.4 KB
- 2020nocv-hbonds04.png
- 1343×716
- 2020/11/22 11:05
- 197.5 KB
- 2020nocv-hbonds05.png
- 915×623
- 2020/11/22 12:05
- 196.5 KB
- 2020nocvforcircle01.png
- 1371×748
- 2020/11/23 13:21
- 165.1 KB
- 2020nocvforcircle02.png
- 1375×749
- 2020/11/23 13:21
- 220.8 KB
- 2020nocvforcircle03.png
- 1372×749
- 2020/11/23 13:21
- 234 KB
- 2020nocvforcircle04.png
- 1370×744
- 2020/11/23 13:21
- 232.5 KB
- 2020nocvforcircle05.png
- 1042×713
- 2020/11/23 13:48
- 244.5 KB
- 2020nocvforcircle06.png
- 1044×718
- 2020/11/23 13:54
- 277.2 KB
- 2020npc31.png
- 1356×686
- 2020/12/01 19:53
- 132 KB
- 2020npc399.png
- 1359×685
- 2020/12/01 19:58
- 132.5 KB
- 2020npc400.png
- 1356×691
- 2020/12/01 20:02
- 165.7 KB
- 2020o2-ea01.png
- 1356×744
- 2020/11/12 18:50
- 109.7 KB
- 2020o2-ea02.png
- 1227×782
- 2020/11/12 18:56
- 155.6 KB
- 2020o2-ea03.png
- 1224×688
- 2020/11/12 18:56
- 130.1 KB
- 2020opt-dftb01.png
- 1572×956
- 2020/11/24 19:20
- 217.2 KB
- 2020partialcharge01.png
- 1103×951
- 2020/11/24 11:36
- 222.5 KB
- 2020partialcharge02.png
- 891×711
- 2020/11/24 11:46
- 132.9 KB
- 2020pes01.png
- 1351×681
- 2020/11/27 17:29
- 110.4 KB
- 2020pes02.png
- 1354×684
- 2020/11/27 17:29
- 159.2 KB
- 2020pes03.png
- 1356×688
- 2020/11/27 17:29
- 142.8 KB
- 2020pes04.png
- 1533×590
- 2020/11/27 17:29
- 138.5 KB
- 2020pes05.png
- 1358×684
- 2020/11/27 17:44
- 112.3 KB
- 2020pes06.png
- 1360×667
- 2020/11/27 17:44
- 148.8 KB
- 2020pes07.png
- 1792×932
- 2020/11/27 17:44
- 327.9 KB
- 2020poltddft01.png
- 1353×772
- 2020/12/01 22:40
- 347.2 KB
- 2020poltddft02.png
- 1359×777
- 2020/12/01 22:40
- 339.9 KB
- 2020poltddft03.png
- 1353×775
- 2020/12/01 22:40
- 355.2 KB
- 2020poltddft04.png
- 519×312
- 2020/12/01 22:43
- 23.9 KB
- 2020qmmm01.png
- 1366×813
- 2020/11/20 16:55
- 141.4 KB
- 2020qmmm02.png
- 1363×842
- 2020/11/20 16:55
- 236.6 KB
- 2020qmmm03.png
- 1368×841
- 2020/11/20 16:55
- 223.9 KB
- 2020qmmm04.png
- 1370×842
- 2020/11/20 16:55
- 210.4 KB
- 2020qmmm05.png
- 1420×956
- 2020/11/20 17:10
- 314.1 KB
- 2020qmmm06.png
- 1251×697
- 2020/11/20 17:12
- 104.7 KB
- 2020raman01.png
- 1371×725
- 2020/11/23 16:48
- 130.8 KB
- 2020raman02.png
- 1367×726
- 2020/11/23 16:56
- 91.1 KB
- 2020raman03.png
- 1470×717
- 2020/11/23 16:53
- 105.9 KB
- 2020raman04.png
- 1470×714
- 2020/11/23 16:53
- 127.1 KB
- 2020raman05.png
- 999×716
- 2020/11/23 17:17
- 95 KB
- 2020rdf01.png
- 1573×640
- 2020/11/26 20:32
- 228.6 KB
- 2020rdf02.png
- 1567×640
- 2020/11/26 20:34
- 231.7 KB
- 2020rdf03.png
- 1571×637
- 2020/11/26 20:34
- 232.8 KB
- 2020rdf04.png
- 669×945
- 2020/11/26 20:44
- 42.3 KB
- 2020rdf05.png
- 1789×918
- 2020/11/26 20:44
- 731 KB
- 2020relaxation01.png
- 1428×700
- 2020/11/26 11:54
- 254.9 KB
- 2020relaxation02.png
- 1428×695
- 2020/11/26 11:54
- 257.6 KB
- 2020relaxation03.png
- 1430×696
- 2020/11/26 11:54
- 261.5 KB
- 2020relaxation04.png
- 1795×776
- 2020/11/26 12:24
- 691.1 KB
- 2020rigidscan01.png
- 1405×805
- 2020/11/12 21:19
- 128.6 KB
- 2020rigidscan02.png
- 1411×807
- 2020/11/12 21:19
- 132.4 KB
- 2020rigidscan03.png
- 1408×802
- 2020/11/12 21:19
- 142.4 KB
- 2020rr-dftb01.png
- 1571×980
- 2020/11/24 17:40
- 232.5 KB
- 2020rr-dftb02.png
- 1571×952
- 2020/11/24 17:56
- 238.3 KB
- 2020rr-dftb04.png
- 1574×962
- 2020/11/24 18:12
- 237.1 KB
- 2020rr-dftb05.png
- 1184×761
- 2020/11/24 18:12
- 108 KB
- 2020rr-dftb06.png
- 1569×941
- 2020/11/24 18:16
- 213.9 KB
- 2020rr-dftb07.png
- 1572×943
- 2020/11/24 18:16
- 173.6 KB
- 2020rr-dftb08.png
- 1575×949
- 2020/11/24 18:16
- 208.9 KB
- 2020rr-dftb09.png
- 1187×765
- 2020/11/24 18:49
- 135.5 KB
- 2020rr-dftb10.png
- 1350×950
- 2020/11/24 18:49
- 210.1 KB
- 2020rr-dftb11.png
- 1356×951
- 2020/11/24 18:49
- 235.9 KB
- 2020rr-dftb12.png
- 1350×955
- 2020/11/24 18:49
- 177.1 KB
- 2020rr-dftb13.png
- 1354×957
- 2020/11/24 18:49
- 203 KB
- 2020rr-dftb14.png
- 1184×762
- 2020/11/24 18:50
- 148.2 KB
- 2020rr01.png
- 1357×717
- 2020/11/24 10:52
- 129.9 KB
- 2020rr02.png
- 1184×759
- 2020/11/24 11:08
- 121.4 KB
- 2020rr03.png
- 1376×723
- 2020/11/24 11:08
- 123.1 KB
- 2020rr04.png
- 1373×724
- 2020/11/24 11:08
- 96.7 KB
- 2020rr05.png
- 1368×716
- 2020/11/24 11:08
- 131.7 KB
- 2020rr06.png
- 1376×727
- 2020/11/24 11:08
- 111.9 KB
- 2020rr07.png
- 1376×726
- 2020/11/24 11:17
- 87 KB
- 2020rr08.png
- 1184×763
- 2020/11/24 11:18
- 107.9 KB
- 2020rr09.png
- 1355×720
- 2020/11/24 11:24
- 147 KB
- 2020rr10.png
- 1358×725
- 2020/11/24 11:24
- 158.5 KB
- 2020rr11.png
- 1359×717
- 2020/11/24 11:30
- 78.6 KB
- 2020rr12.png
- 1357×721
- 2020/11/24 11:24
- 147.3 KB
- 2020rr13.png
- 1188×760
- 2020/11/24 11:31
- 65.4 KB
- 2020scalaruv01.png
- 1342×727
- 2020/11/12 15:24
- 143.3 KB
- 2020scalaruv02.png
- 1346×727
- 2020/11/12 15:24
- 160.5 KB
- 2020scalaruv03.png
- 1346×1034
- 2020/11/12 15:38
- 243.7 KB
- 2020sers01.png
- 1369×686
- 2020/12/02 15:35
- 283.9 KB
- 2020sers02.png
- 1365×682
- 2020/12/02 15:35
- 279.5 KB
- 2020sers03.png
- 1360×674
- 2020/12/02 15:35
- 260.1 KB
- 2020sers04.png
- 520×341
- 2020/12/02 15:35
- 25.5 KB
- 2020sers05.png
- 699×260
- 2020/12/02 15:35
- 20.6 KB
- 2020sers06.png
- 1182×613
- 2020/12/02 15:53
- 79.8 KB
- 2020sers07.png
- 1361×671
- 2020/12/02 15:35
- 253.7 KB
- 2020slabandmolecules01.png
- 1351×735
- 2020/11/25 17:43
- 217.8 KB
- 2020slabandmolecules02.png
- 1354×741
- 2020/11/25 17:43
- 142.3 KB
- 2020slabandmolecules03.png
- 1406×734
- 2020/11/25 17:43
- 196 KB
- 2020slabandmolecules04.png
- 1404×739
- 2020/11/25 17:43
- 160.1 KB
- 2020slabandmolecules05.png
- 1408×737
- 2020/11/25 17:43
- 250 KB
- 2020slabandmolecules06.png
- 1409×729
- 2020/11/25 17:43
- 253.7 KB
- 2020slabandmolecules07.png
- 1404×730
- 2020/11/25 17:43
- 367.8 KB
- 2020slabandmolecules08.png
- 1410×734
- 2020/11/25 17:43
- 526.6 KB
- 2020slabandmolecules09.png
- 1404×727
- 2020/11/25 17:43
- 542.4 KB
- 2020soc01.png
- 1359×687
- 2020/12/01 22:20
- 120.6 KB
- 2020soc02.png
- 1350×783
- 2020/12/01 22:20
- 152.3 KB
- 2020socuv01.png
- 1343×730
- 2020/11/12 16:02
- 147.7 KB
- 2020socuv02.png
- 1346×728
- 2020/11/12 16:01
- 125.6 KB
- 2020socuv03.png
- 1346×1033
- 2020/11/12 17:00
- 223.7 KB
- 2020solvation.png
- 905×925
- 2020/11/14 19:01
- 166.7 KB
- 2020solvation02.png
- 715×917
- 2020/11/14 19:05
- 65.3 KB
- 2020spin-flip01.png
- 1356×668
- 2020/12/02 16:17
- 175.5 KB
- 2020spin-flip02.png
- 1371×665
- 2020/12/02 16:17
- 193 KB
- 2020spin-flip03.png
- 1188×630
- 2020/12/02 16:17
- 110.2 KB
- 2020spin-flip04.png
- 1184×635
- 2020/12/02 16:17
- 111.9 KB
- 2020spindensity01.png
- 1373×744
- 2020/11/18 17:25
- 146 KB
- 2020spindensity02.png
- 1015×770
- 2020/11/18 17:29
- 261.5 KB
- 2020spinor01.png
- 1358×703
- 2020/12/01 18:08
- 125.7 KB
- 2020spinor02.png
- 1356×699
- 2020/12/01 18:08
- 106.7 KB
- 2020spinor03.png
- 940×977
- 2020/12/01 18:08
- 457.3 KB
- 2020srvsso01.png
- 1370×696
- 2020/12/01 15:16
- 101.5 KB
- 2020srvsso02.png
- 1369×690
- 2020/12/01 15:13
- 78.8 KB
- 2020srvsso03.png
- 1368×698
- 2020/12/01 15:13
- 109.4 KB
- 2020srvsso04.png
- 1376×702
- 2020/12/01 15:13
- 93 KB
- 2020srvsso05.png
- 1269×602
- 2020/12/01 15:16
- 33.3 KB
- 2020ssc03.png
- 1372×704
- 2020/12/01 16:18
- 151.1 KB
- 2020ssc04.png
- 1367×692
- 2020/12/01 16:18
- 152.6 KB
- 2020t1-opt02.png
- 1356×688
- 2020/12/01 19:43
- 150.9 KB
- 2020t1-opt05.png
- 1355×686
- 2020/12/01 19:24
- 120.6 KB
- 2020t1-opt09.png
- 1363×686
- 2020/12/01 19:26
- 95.2 KB
- 2020t1-opt10.png
- 1354×691
- 2020/12/01 19:25
- 99.8 KB
- 2020tempregions01.png
- 1386×736
- 2020/11/27 16:09
- 267.6 KB
- 2020tempregions02.png
- 1393×734
- 2020/11/27 16:15
- 286.5 KB
- 2020tempregions03.png
- 1396×764
- 2020/11/27 16:17
- 309.5 KB
- 2020tempregions04.png
- 1387×853
- 2020/11/27 16:17
- 378.1 KB
- 2020tempregions05.png
- 891×931
- 2020/11/27 16:21
- 276.6 KB
- 2020tss002.png
- 1353×810
- 2020/11/13 18:51
- 145.2 KB
- 2020tss003.png
- 1355×807
- 2020/11/13 18:51
- 175.9 KB
- 2020tss004.png
- 1358×810
- 2020/11/13 19:01
- 144.5 KB
- 2020tss005.png
- 1353×808
- 2020/11/13 19:01
- 138.2 KB
- 2020tss01.png
- 1358×813
- 2020/11/13 18:06
- 150.2 KB
- 2020tss02.png
- 1356×806
- 2020/11/13 18:12
- 187.9 KB
- 2020tss03.png
- 1352×810
- 2020/11/13 18:06
- 151.6 KB
- 2020tss04.png
- 1353×815
- 2020/11/13 18:12
- 198.6 KB
- 2020tss05.png
- 1793×971
- 2020/11/13 18:22
- 254.1 KB
- 2020tss06.png
- 1355×810
- 2020/11/13 18:28
- 158.2 KB
- 2020unrestrictedfrag01.png
- 1358×768
- 2020/11/16 13:53
- 243.5 KB
- 2020unrestrictedfrag02.png
- 1363×772
- 2020/11/16 14:04
- 219.8 KB
- 2020unrestrictedfrag03.png
- 1362×778
- 2020/11/16 14:04
- 232.8 KB
- 2020unrestrictedfrag04.png
- 1361×783
- 2020/11/16 14:04
- 231.1 KB
- 2020unrestrictedfrag05.png
- 1359×777
- 2020/11/16 14:04
- 234.2 KB
- 2020unrestrictedfrag06.png
- 1568×1000
- 2020/11/16 14:04
- 108.4 KB
- 2020unrestrictedfrag07.png
- 1568×997
- 2020/11/16 14:04
- 166.3 KB
- 2020unrestrictedfrag08.png
- 1564×828
- 2020/11/16 14:04
- 166.8 KB
- 2020unrestrictedfrag09.png
- 1354×857
- 2020/11/16 14:12
- 238.5 KB
- 2020unrestrictedfrag10.png
- 2010×1152
- 2020/11/16 16:10
- 119.7 KB
- 2020unrestrictedfrag11.png
- 866×735
- 2020/11/16 16:32
- 275.7 KB
- 2020vcd01.png
- 1344×723
- 2020/11/21 13:59
- 154.2 KB
- 2020vcd02.png
- 1349×726
- 2020/11/21 13:59
- 159.9 KB
- 2020vcd03.png
- 1468×721
- 2020/11/21 19:13
- 188.9 KB
- 2020vcd04.png
- 1473×717
- 2020/11/21 19:20
- 210.6 KB
- 2020vcd05.png
- 1467×714
- 2020/11/21 19:22
- 206.6 KB
- 2020vcdanalysis01.png
- 1354×709
- 2020/11/21 14:04
- 158.4 KB
- 2020vcdanalysis02.png
- 1352×718
- 2020/11/21 14:04
- 146.7 KB
- 2020vcdanalysis03.png
- 1353×715
- 2020/11/21 14:04
- 145.3 KB
- 2020vcdanalysis04.png
- 1473×730
- 2020/11/21 14:07
- 179.4 KB
- 2020vcdanalysis05.png
- 1468×733
- 2020/11/21 14:15
- 200.2 KB
- 2020vcdanalysis06.png
- 613×73
- 2020/11/21 14:28
- 27.7 KB
- 2020vcdanalysis07.png
- 1468×733
- 2020/11/21 14:55
- 227.2 KB
- 2020vres01.png
- 1358×702
- 2020/12/01 23:01
- 148.8 KB
- 2020vres02.png
- 1355×705
- 2020/12/01 23:01
- 147.6 KB
- 2020vres03.png
- 1353×699
- 2020/12/01 23:01
- 121.2 KB
- 2020vres04.png
- 1357×692
- 2020/12/01 23:03
- 157.8 KB
- 2020vres05.png
- 1355×698
- 2020/12/01 23:01
- 136.5 KB
- 2020vres06.png
- 1353×702
- 2020/12/01 23:15
- 150.4 KB
- 2020vres07.png
- 1355×701
- 2020/12/01 23:15
- 152 KB
- 2020vres08.png
- 1356×701
- 2020/12/01 23:15
- 123.4 KB
- 2020vres09.png
- 1352×694
- 2020/12/01 23:15
- 146.5 KB
- 2020vres10.png
- 1181×740
- 2020/12/01 23:15
- 80.3 KB
- 2020xes01.png
- 1360×689
- 2020/12/01 21:28
- 132.9 KB
- 2020xes02.png
- 1359×686
- 2020/12/01 21:35
- 138.7 KB
- 2020xes03.png
- 1352×691
- 2020/12/01 21:35
- 168.3 KB
- 2020xes05.png
- 1341×886
- 2020/12/01 21:39
- 51.6 KB
- 2020xes06.png
- 1354×689
- 2020/12/01 21:35
- 159.8 KB
- 2020xes07.png
- 1357×691
- 2020/12/01 21:43
- 133 KB
- 2020xes08.png
- 1360×691
- 2020/12/01 21:43
- 168.8 KB
- 2020xes09.png
- 1358×688
- 2020/12/01 21:43
- 154.7 KB
- 2020xes10.png
- 1183×619
- 2020/12/01 21:50
- 92.7 KB
- 2020xps02.png
- 1344×689
- 2020/12/02 14:31
- 169 KB
- 2020xps05.png
- 1365×686
- 2020/12/02 14:34
- 161 KB
- 2020xps06.png
- 1361×675
- 2020/12/02 14:45
- 171.3 KB
- 2020xrayexcitation01.png
- 1368×709
- 2020/12/02 14:20
- 117.9 KB
- 2020xrayexcitation02.png
- 1360×702
- 2020/12/02 14:20
- 137.6 KB
- 2020xrayexcitation03.png
- 1369×696
- 2020/12/02 14:20
- 128.9 KB
- 2020xrayexcitation04.png
- 1182×626
- 2020/12/02 14:20
- 89.7 KB
- 2020zfs01.png
- 710×655
- 2020/12/01 23:32
- 53.2 KB
- 2024_workshop.zip
- 2024/05/27 16:44
- 14.7 MB
- 2903baad-d3c6-4458-a6ec-d2b45bda385d.png
- 971×644
- 2022/09/07 17:03
- 72.2 KB
- 12300b2e-e2fe-40ec-98fb-33cda0f9407e.png
- 781×194
- 2020/02/18 15:16
- 42.1 KB
- 20201hnmrwithssc02.png
- 1359×745
- 2020/11/12 17:20
- 141.6 KB
- 20201hnmrwithssc03.png
- 1357×746
- 2020/11/12 17:20
- 145.4 KB
- 20201hnmrwithssc04.png
- 1353×666
- 2020/11/12 18:31
- 155.7 KB
- 20201hnmrwithssc05.png
- 1344×617
- 2020/11/12 18:27
- 136.1 KB
- 20201hnmrwithssc06.png
- 1345×660
- 2020/11/12 18:32
- 154.2 KB
- 20201hnmrwithssc09.png
- 1349×659
- 2020/11/12 18:37
- 148.5 KB
- 20203drism01.png
- 720×696
- 2020/11/23 15:30
- 52.5 KB
- 20203drism02.png
- 720×816
- 2020/11/23 15:38
- 39.8 KB
- 20203drism03.png
- 720×816
- 2020/11/23 15:43
- 65.4 KB
- 20203drism04.png
- 717×529
- 2020/11/23 15:44
- 54.3 KB
- 27962a8c-a53a-4a18-83f7-d0c4df614cf3.png
- 1084×174
- 2022/04/05 22:02
- 477.7 KB
- 41598_2020_77516_fig1_html.jpg
- 1651×730
- 2020/11/28 17:21
- 112.7 KB
- 69458a7d-20be-402c-8582-d8d627fad500.png
- 783×815
- 2023/11/21 23:02
- 193.7 KB
- 83025aafa40f4bfb12175489094f78f0f636182c.jpg
- 882×621
- 2024/02/29 22:04
- 103.5 KB
- 393180ee-5c3a-424d-b9fb-3005be914e82.png
- 1482×1018
- 2022/04/14 17:26
- 790.8 KB
- 946623f6-da25-4151-9ae4-c18100f8b95e.png
- 933×1011
- 2023/08/08 14:28
- 102.2 KB
- 20230418_184329.mp4
- 2023/04/18 18:46
- 14.8 MB
- 20230908_162815.mp4
- 2023/09/08 16:35
- 6 MB
- 20230908_173544.mp4
- 2023/09/08 17:41
- 7.6 MB
- 1585937424071_04_04-28-16-01-58_.png
- 1414×944
- 2020/04/28 16:06
- 228.3 KB
- 20221115220259.png
- 468×572
- 2022/11/15 22:04
- 14.7 KB
- 20230822213923.png
- 1343×689
- 2023/08/22 21:41
- 385 KB
- 20240515164348.png
- 913×1317
- 2024/05/15 16:45
- 119.9 KB
- 2012021418254052.png
- 554×502
- 2015/10/15 12:27
- 28.4 KB
- a9edceef-4fde-41bf-b112-9a8b73b62e8a.png
- 722×462
- 2022/10/20 12:04
- 33.6 KB
- aa7c6ac8-b589-49f7-89ad-e0a732c5c551.png
- 1140×413
- 2023/07/20 19:47
- 36.8 KB
- ac0a1318-c250-4622-872c-21e81f5f227e.png
- 449×255
- 2024/04/01 22:43
- 18.4 KB
- acereactionnetwork1.png
- 1674×1106
- 2024/02/05 15:30
- 126.5 KB
- acereactionnetwork2.png
- 1669×1109
- 2024/02/05 15:36
- 230.1 KB
- acereactionnetwork3.png
- 2106×1264
- 2024/02/05 15:40
- 319.1 KB
- acereactionnetwork4.png
- 2099×1264
- 2024/02/05 15:44
- 255.5 KB
- acereactionnetwork5.png
- 2104×1262
- 2024/02/05 16:11
- 415 KB
- acereactionnetwork6.png
- 2402×1202
- 2024/02/05 16:25
- 215.5 KB
- acereactionnetwork7.png
- 2406×1204
- 2024/02/05 16:27
- 269.8 KB
- acereactionnetwork8.png
- 1600×1318
- 2024/02/05 16:32
- 441.9 KB
- acereactionnetwork9.png
- 1454×1420
- 2024/02/05 16:35
- 376.9 KB
- acereactionnetwork10.png
- 2864×1440
- 2024/02/05 16:49
- 359.1 KB
- acereactionnetwork11.png
- 2866×1432
- 2024/02/05 16:49
- 344.4 KB
- acereactionnetwork12.png
- 2106×1262
- 2024/02/05 17:10
- 498.2 KB
- acereactionnetwork13.png
- 2106×1262
- 2024/02/05 17:14
- 345.8 KB
- acereactionnetwork14.png
- 2408×1202
- 2024/02/05 17:17
- 239.3 KB
- acereactionnetwork15.png
- 1426×562
- 2024/02/05 17:18
- 146.8 KB
- acereactionnetwork16.png
- 2400×1198
- 2024/02/05 17:21
- 199.5 KB
- acnbp-b634y.png
- 737×500
- 2024/05/12 15:30
- 36.4 KB
- activitycoeffnormal01.png
- 708×370
- 2020/11/27 20:16
- 40.1 KB
- activitycoeffnormal02.png
- 1509×809
- 2020/11/27 20:30
- 245.8 KB
- activitycoeffnormal03.png
- 1515×796
- 2020/11/27 20:30
- 218.9 KB
- activitycoeffnormal04.png
- 562×363
- 2020/05/18 12:43
- 18 KB
- adf-band-bal10.png
- 990×546
- 2015/11/02 10:29
- 160.5 KB
- adf-band-bal11.png
- 992×543
- 2015/11/02 10:30
- 227.2 KB
- adf-band-ball01.png
- 483×531
- 2015/11/02 10:11
- 11.3 KB
- adf-band-ball02.png
- 1414×724
- 2020/11/25 17:48
- 117.8 KB
- adf-band-ball03.png
- 1398×739
- 2020/11/25 17:48
- 301.3 KB
- adf-band-ball04.png
- 1401×736
- 2020/11/25 17:48
- 807.3 KB
- adf-band-ball05.png
- 1412×737
- 2020/11/25 17:48
- 318.3 KB
- adf-band-ball06.png
- 1424×870
- 2019/12/10 17:03
- 298.3 KB
- adf-band-ball07.png
- 996×670
- 2015/11/02 10:23
- 189.6 KB
- adf-band-ball08.png
- 994×670
- 2015/11/02 10:26
- 179.3 KB
- adf-band-ball09.png
- 994×638
- 2015/11/02 10:27
- 205.4 KB
- adf-bondpath04.png
- 1894×228
- 2016/10/31 20:20
- 21.5 KB
- adf-dftmd01.png
- 1354×743
- 2019/12/07 16:04
- 178.7 KB
- adf-dftmd02.png
- 1355×797
- 2019/12/07 16:04
- 190 KB
- adf-dftmd03.png
- 1360×963
- 2019/12/07 16:04
- 259.4 KB
- adf-srvsso06.png
- 515×358
- 2017/09/13 12:20
- 57.2 KB
- adf-srvsso07.png
- 562×356
- 2017/09/13 12:20
- 53.9 KB
- adf-srvsso08.png
- 503×362
- 2017/09/13 12:20
- 66.4 KB
- adfhilight60.png
- 527×851
- 2017/02/23 13:19
- 319.1 KB
- adfhilight62.png
- 874×431
- 2017/02/23 13:35
- 133.3 KB
- adfinput01.jpg
- 1358×783
- 2019/12/04 14:22
- 85.6 KB
- adfinput02.jpg
- 1359×783
- 2019/12/04 14:22
- 115.1 KB
- adfinput02.png
- 997×531
- 2016/03/17 23:46
- 74.5 KB
- adfjob01.png
- 1596×60
- 2016/04/26 11:15
- 9.2 KB
- adfjobs02.png
- 1572×268
- 2016/04/26 11:15
- 32.6 KB
- adfjobs03.png
- 1600×224
- 2016/04/26 11:15
- 26.9 KB
- adfjobswarning01.png
- 485×297
- 2016/04/27 13:54
- 7.3 KB
- adfmdmethod.png
- 703×478
- 2019/12/13 19:23
- 47 KB
- adfpotential01.png
- 995×627
- 2019/12/07 22:42
- 111.3 KB
- adfpotential02.png
- 1320×625
- 2019/12/07 22:42
- 153.3 KB
- adfpotential03.png
- 1316×624
- 2019/12/07 22:42
- 185.9 KB
- adfpotential04.png
- 1321×623
- 2019/12/07 22:42
- 142.1 KB
- adfprep_title_picture.png
- 1024×425
- 2018/02/23 22:18
- 71.8 KB
- adf知识库.png
- 1000×1300
- 2016/08/16 19:27
- 45.5 KB
- adsorption202001.png
- 919×606
- 2021/12/21 12:50
- 148 KB
- adsorption202002.png
- 927×614
- 2021/12/21 12:54
- 153 KB
- adsorption202003.png
- 925×611
- 2021/12/21 12:54
- 155.4 KB
- adsorption202004.png
- 929×621
- 2021/12/21 12:54
- 154.4 KB
- adsorption202005.png
- 1617×616
- 2021/12/21 12:58
- 129.1 KB
- aimandvoronoi01.png
- 1438×881
- 2023/03/24 12:32
- 190.9 KB
- aimandvoronoi02.png
- 1440×879
- 2023/03/24 12:32
- 226.9 KB
- aimandvoronoi03.png
- 1444×883
- 2023/03/24 12:32
- 193.8 KB
- aimandvoronoi04.png
- 1440×885
- 2023/03/24 12:32
- 192 KB
- aimandvoronoi05.png
- 1391×969
- 2023/04/25 16:08
- 259.6 KB
- aimandvoronoi06.png
- 2235×1303
- 2023/03/24 12:41
- 476.6 KB
- aimandvoronoi07.png
- 926×660
- 2023/03/24 12:43
- 54.9 KB
- aimandvoronoi08.png
- 1564×1135
- 2023/03/24 12:43
- 328.4 KB
- aimcharge01.png
- 1926×1044
- 2016/11/29 22:43
- 429.3 KB
- aimcharge02.png
- 1926×1044
- 2016/11/29 22:43
- 401.1 KB
- aimcharge03.png
- 1432×984
- 2016/11/29 22:51
- 162.3 KB
- allowedexcitation01.jpg
- 505×548
- 2017/10/18 22:38
- 75.7 KB
- allowedexcitation01.png
- 505×548
- 2015/11/13 09:31
- 151.6 KB
- allowedexcitation02.png
- 677×409
- 2015/11/13 09:31
- 81.3 KB
- ams-adsorption01.png
- 1371×957
- 2021/09/02 22:00
- 250.9 KB
- ams-adsorption02.png
- 1373×956
- 2021/09/02 22:09
- 220.8 KB
- ams-adsorption03.png
- 1368×956
- 2021/09/02 22:11
- 262.5 KB
- ams-adsorption04.png
- 1369×954
- 2021/09/02 22:11
- 246.2 KB
- ams-adsorption05.png
- 2011×771
- 2021/09/02 22:18
- 247.7 KB
- ams2023-m3gnet-500x302.png
- 500×302
- 2023/04/13 14:20
- 95.5 KB
- amsmovie_products.png
- 1201×634
- 2024/05/21 11:10
- 56.4 KB
- amsmovie_raw.png
- 1204×639
- 2024/05/21 11:08
- 57.1 KB
- amsmovie_reactor.png
- 1198×630
- 2024/05/21 11:14
- 119.9 KB
- amsmovie_reactorct.png
- 2480×1965
- 2024/05/21 11:17
- 616.2 KB
- ams_cvhd_metadyn_bias01.png
- 1779×1283
- 2021/12/21 14:07
- 119.2 KB
- ams_cvhd_metadyn_bias02.png
- 324×89
- 2021/12/21 14:10
- 4.4 KB
- ams_cvhd_metadyn_bias03.png
- 307×44
- 2021/12/21 15:01
- 3 KB
- ams_cvhd_metadyn_bias04.png
- 307×47
- 2021/12/21 15:03
- 3.7 KB
- ams_cvhd_metadyn_bias05.png
- 305×179
- 2021/12/21 15:17
- 6.4 KB
- ams_cvhd_metadyn_bias06.png
- 248×138
- 2021/12/21 15:21
- 4.5 KB
- ams_cvhd_metadyn_bias07.png
- 960×1240
- 2021/12/21 16:13
- 301 KB
- ams_cvhd_metadyn_bias08.png
- 961×712
- 2021/12/21 16:13
- 135.2 KB
- ams_cvhd_metadyn_bias09.png
- 958×1240
- 2021/12/21 16:13
- 227.4 KB
- ams_cvhd_metadyn_bias10.png
- 960×670
- 2021/12/21 16:13
- 146.9 KB
- ams_cvhd_metadyn_bias11.png
- 959×621
- 2021/12/21 16:13
- 137.7 KB
- ams_cvhd_metadyn_bias12-2.png
- 1216×650
- 2021/12/21 16:13
- 58.2 KB
- ams_cvhd_metadyn_bias12-3.png
- 758×415
- 2021/12/21 16:45
- 9.8 KB
- ams_cvhd_metadyn_bias12.png
- 909×846
- 2021/12/21 16:13
- 176.2 KB
- ams_cvhd_metadyn_bias13.png
- 1240×675
- 2021/12/21 16:13
- 109.9 KB
- ams_cvhd_metadyn_bias14.png
- 1280×710
- 2021/12/21 16:13
- 44.2 KB
- ams_cvhd_metadyn_bias15.png
- 1280×710
- 2021/12/21 16:13
- 35.8 KB
- ams_cvhd_metadyn_bias16.png
- 1280×710
- 2021/12/21 16:13
- 37.8 KB
- ams_science_2022_2_slides.pdf
- 2022/05/10 22:25
- 717 KB
- ams中的nvt系综.mp4
- 2022/04/25 18:54
- 14.6 MB
- ams导出数据表单.mp4
- 2022/04/25 18:54
- 16.5 MB
- ams操作技巧_导出数据_修改单位.mp4
- 2022/04/25 18:55
- 25.7 MB
- analysis05.png
- 1363×614
- 2019/06/21 12:34
- 69.6 KB
- analysis06.png
- 1781×1064
- 2019/06/21 12:34
- 500.9 KB
- analysisband01.png
- 1904×1144
- 2019/06/21 12:13
- 356.7 KB
- analysisband02.png
- 1906×1146
- 2019/06/21 12:16
- 347.9 KB
- analysisband03.png
- 1907×1142
- 2019/06/21 12:18
- 642.5 KB
- analysisband04.png
- 1905×1139
- 2019/06/21 12:20
- 649.1 KB
- analyze_gcmc.rar
- 2024/01/26 20:52
- 1.6 KB
- anie201609317-toc-0001-m.jpg
- 426×354
- 2022/05/19 19:48
- 84.7 KB
- animation1.gif
- 320×268
- 2024/05/12 16:11
- 1001.7 KB
- antone01.png
- 1315×946
- 2023/06/09 21:30
- 102.1 KB
- antone02.png
- 1299×412
- 2023/06/09 21:32
- 35.9 KB
- applenp01.png
- 959×615
- 2022/03/22 18:23
- 118.4 KB
- applenp02.png
- 956×615
- 2022/03/22 18:23
- 120.1 KB
- applenp03.png
- 962×618
- 2022/03/22 18:23
- 116.1 KB
- applenp04.png
- 958×615
- 2022/03/22 18:23
- 120.5 KB
- applenp05.png
- 956×616
- 2022/03/22 18:23
- 118.7 KB
- applenp06.png
- 961×616
- 2022/03/22 18:23
- 116.2 KB
- applenp07.png
- 1638×620
- 2022/03/22 18:41
- 125.7 KB
- applenp_viscosity_md.rar
- 2023/11/18 12:53
- 1.7 KB
- asfdadsffg.png
- 3334×1455
- 2024/03/22 20:34
- 503.4 KB
- asff.png
- 1770×2125
- 2023/10/18 16:58
- 170.1 KB
- asfrg.png
- 1631×902
- 2024/02/23 17:24
- 102.3 KB
- atomicchargekfbrowser01.png
- 1011×719
- 2020/11/25 10:22
- 68.1 KB
- atomicchargekfbrowser02.png
- 1157×620
- 2020/11/25 10:28
- 189.1 KB
- atomicoccupation01.png
- 1412×786
- 2023/03/21 00:01
- 136.6 KB
- atomicoccupation02.png
- 1417×823
- 2023/03/21 00:03
- 140.8 KB
- atomicoccupation03.png
- 1420×821
- 2023/03/21 00:03
- 177.5 KB
- atomsfrom.mp4
- 2022/05/24 20:19
- 42.3 MB
- atomstooclosed001.png
- 1468×970
- 2023/11/05 19:14
- 1005.8 KB
- atomstooclosed002.png
- 1503×952
- 2023/11/05 19:16
- 869.5 KB
- automated_screening_il.rar
- 2023/06/09 22:46
- 1.1 MB
- automated_screening_il_des.rar
- 2023/06/09 21:04
- 871.4 KB
- azeotrope.rar
- 2023/05/13 18:28
- 100.2 KB
- azeotrope_binary.rar
- 2023/05/13 11:24
- 99.9 KB
- azeotropy01.png
- 1640×1183
- 2023/05/13 11:55
- 227.7 KB
- azeotropy02.png
- 1745×320
- 2023/05/13 18:30
- 36.6 KB
- b1.png
- 1010×1036
- 2016/05/20 13:54
- 404.1 KB
- b5f157ef-3d2b-4e95-a72c-65958f745b7e.png
- 1126×566
- 2024/01/10 15:42
- 53.2 KB
- badercharge01.png
- 1534×807
- 2019/03/25 10:33
- 174 KB
- badercharge02.png
- 1535×807
- 2019/03/25 10:33
- 202.9 KB
- badercharge03.png
- 1343×777
- 2019/03/25 10:33
- 249 KB
- band-wave01.png
- 1421×874
- 2020/11/30 19:12
- 137.9 KB
- band-wave02.png
- 1423×873
- 2020/11/30 19:12
- 97 KB
- band-wave03.png
- 1917×1152
- 2019/12/09 21:52
- 188.8 KB
- band-wave04.png
- 1419×1181
- 2020/11/30 19:38
- 714.2 KB
- band-wave05.png
- 997×87
- 2017/07/01 14:38
- 56 KB
- band-wave06.png
- 743×647
- 2015/08/19 15:06
- 46.4 KB
- band-wave07.png
- 753×494
- 2015/08/19 15:11
- 105.4 KB
- band-wave08.png
- 676×568
- 2015/08/19 15:15
- 26.7 KB
- band-wave09.png
- 753×492
- 2015/08/19 15:15
- 47.2 KB
- band-wave22.png
- 1468×969
- 2023/11/05 18:59
- 158.2 KB
- bandcoulomb01.png
- 1308×636
- 2020/11/30 17:52
- 141.1 KB
- bandcoulomb02.png
- 1304×507
- 2020/11/30 17:47
- 107.6 KB
- bandcoulomb03.png
- 1310×633
- 2020/11/30 17:49
- 259.3 KB
- bandcoulomb04.png
- 1377×778
- 2020/11/30 17:35
- 430.7 KB
- bandcoulomb05.png
- 1370×775
- 2020/11/30 17:37
- 310 KB
- bandcoulomb99.png
- 1365×773
- 2020/11/30 17:28
- 325.7 KB
- bandexcited01.png
- 1355×750
- 2015/11/29 22:27
- 103 KB
- bandexcited02.png
- 402×353
- 2015/11/29 22:28
- 7 KB
- bandexcited03.png
- 431×231
- 2015/11/29 22:31
- 7 KB
- bandexcited04.png
- 310×273
- 2015/11/29 22:35
- 5 KB
- bandexcited05.png
- 718×679
- 2015/11/29 22:42
- 43.5 KB
- bandexcited06.png
- 650×646
- 2015/11/29 22:50
- 59.2 KB
- bandexcited07.png
- 656×768
- 2015/11/29 22:50
- 85.4 KB
- bandexcited08.png
- 872×401
- 2015/11/29 23:05
- 99 KB
- bandexcited09.png
- 297×127
- 2015/11/29 23:08
- 3 KB
- bandexcited10.png
- 403×704
- 2015/11/29 23:15
- 18.6 KB
- bandexcited11.png
- 385×646
- 2015/11/29 23:15
- 18.5 KB
- bandexcited12.png
- 298×419
- 2015/11/29 23:19
- 6.9 KB
- bandexcited13.png
- 688×704
- 2015/11/29 23:32
- 29.7 KB
- bandexcited14.png
- 681×255
- 2015/11/29 23:37
- 13.2 KB
- bandhighlight202006.jpg
- 1333×701
- 2020/12/15 12:44
- 98 KB
- bandhighlight20200301.png
- 422×539
- 2020/06/14 16:07
- 261.9 KB
- bandmdmethod.png
- 709×489
- 2020/11/30 16:51
- 76.1 KB
- bandpath02.png
- 926×619
- 2021/12/23 10:41
- 33.2 KB
- bandpath03.png
- 1013×508
- 2021/12/23 10:43
- 38.3 KB
- bandstructure.png
- 843×639
- 2020/04/16 12:02
- 52.2 KB
- bandstructure01.png
- 1932×1014
- 2016/10/20 17:49
- 402.5 KB
- bandstructure02.png
- 1932×1014
- 2016/10/20 17:49
- 353 KB
- bandstructure03.png
- 1932×1014
- 2016/10/20 17:49
- 378.9 KB
- bandstructure04.png
- 1506×1490
- 2016/10/20 17:57
- 186 KB
- bandstructure05.png
- 1836×1424
- 2016/10/20 18:08
- 315.1 KB
- band_gaps.zip
- 2024/02/18 21:35
- 3.4 KB
- band_peda_surface.png
- 1000×944
- 2019/02/10 21:49
- 589.5 KB
- basicoperations-lfdft01.png
- 1348×724
- 2019/12/09 00:01
- 114.1 KB
- basicoperations-lfdft02.png
- 1343×723
- 2019/12/09 00:04
- 98 KB
- basicoperations-lfdft03.png
- 1348×726
- 2019/12/09 00:01
- 108.2 KB
- basicoperations-lfdft04.png
- 1690×2044
- 2018/03/15 11:01
- 376.4 KB
- basicoperations-lfdft05.png
- 1557×719
- 2020/12/02 16:42
- 119.9 KB
- basicoperations-lfdft06.png
- 1360×847
- 2020/12/02 16:42
- 140.6 KB
- basicoperations-lfdft07.png
- 1409×738
- 2020/12/02 16:42
- 134.9 KB
- basicoperations-lfdft08.png
- 1408×743
- 2020/12/02 16:42
- 119.5 KB
- basicoperations-lfdft09.png
- 1367×1011
- 2020/12/02 16:42
- 312 KB
- basinhopping_results.png
- 1188×549
- 2023/12/27 16:57
- 123.4 KB
- basis01.png
- 481×603
- 2016/03/16 23:56
- 11.1 KB
- basisset-band01.jpg
- 842×827
- 2019/07/01 13:58
- 83.7 KB
- basisset-band01.png
- 715×617
- 2020/11/30 19:19
- 48.9 KB
- basisset-band02.png
- 1684×798
- 2020/11/30 19:26
- 331.4 KB
- basisset-band03.png
- 1681×802
- 2020/11/30 19:26
- 412.2 KB
- basisset-band04.png
- 830×1256
- 2019/07/01 14:17
- 158.4 KB
- basisset01.png
- 902×518
- 2015/10/06 22:18
- 42.9 KB
- basisset02.png
- 900×519
- 2015/10/06 22:20
- 40.1 KB
- basisset03.png
- 900×515
- 2016/10/24 20:16
- 44.5 KB
- basisset04.png
- 900×649
- 2015/10/06 22:29
- 50.1 KB
- batchcoskf01.png
- 1415×960
- 2023/05/18 17:02
- 123 KB
- batchcoskf02.png
- 1420×965
- 2023/05/18 17:02
- 109.3 KB
- batchcoskf03.png
- 1223×1468
- 2023/05/18 17:06
- 549.6 KB
- batchjobs01.png
- 720×529
- 2018/12/03 12:47
- 53.3 KB
- batchjobs02.png
- 720×529
- 2018/12/03 12:47
- 142.2 KB
- batchjobs03.png
- 711×742
- 2018/12/03 12:47
- 149 KB
- batchjobs04.png
- 981×742
- 2018/12/03 12:47
- 192.2 KB
- batchjobs05.png
- 824×676
- 2018/12/03 12:47
- 227.5 KB
- batchjobs06.png
- 1507×875
- 2018/12/03 12:47
- 210.8 KB
- benzen.rar
- 2019/12/18 22:55
- 160.6 KB
- bfieldofband01.png
- 1412×979
- 2023/10/17 16:38
- 196.1 KB
- bfieldofband02.png
- 1409×979
- 2023/10/17 16:38
- 253 KB
- bfieldofband03.png
- 1410×976
- 2023/10/17 16:38
- 167 KB
- bfieldofband04.png
- 865×602
- 2023/10/17 17:13
- 243.7 KB
- bfieldofband05.png
- 865×602
- 2023/10/17 17:13
- 315.4 KB
- bfieldofband06.png
- 865×602
- 2023/10/17 17:13
- 177.6 KB
- bfieldofband07.png
- 1280×966
- 2023/10/17 17:13
- 1.1 MB
- bh.elandscape.png
- 1200×630
- 2023/11/05 21:00
- 82.1 KB
- bh.setup.png
- 1050×660
- 2023/11/05 20:51
- 95.8 KB
- biomass-conversion-solvent-screening-1-1536x735.png
- 1536×735
- 2021/01/25 14:45
- 587.5 KB
- bondingenergy01.jpg
- 422×568
- 2015/04/15 13:28
- 186 KB
- bondingenergy02.jpg
- 444×173
- 2015/04/15 13:33
- 68.3 KB
- bondorder01.jpg
- 479×269
- 2014/12/16 23:20
- 30.1 KB
- bondorder02.jpg
- 540×128
- 2014/12/16 23:22
- 26.7 KB
- bondorder99.png
- 24×19
- 2018/12/03 12:22
- 839 B
- bondpath01.png
- 1367×657
- 2020/12/01 17:03
- 152.5 KB
- bondpath02.png
- 1369×657
- 2020/12/01 17:03
- 153.7 KB
- bondpath03.png
- 1073×597
- 2020/12/01 17:03
- 56.7 KB
- bond_boost_packmol-big01.png
- 689×927
- 2020/11/26 16:52
- 82.2 KB
- bond_boost_packmol-big02.png
- 1875×1463
- 2020/11/26 17:07
- 419 KB
- bond_boost_packmol-big03.png
- 1622×482
- 2020/11/26 17:07
- 136.5 KB
- bond_boost_packmol-big04.png
- 1920×952
- 2020/11/26 17:07
- 668 KB
- bond_boost_packmol-big05.png
- 1002×1056
- 2020/11/26 17:07
- 227.3 KB
- bond_boost_packmol-big06.png
- 721×846
- 2020/11/26 17:07
- 80 KB
- bond_boost_packmol-big07.png
- 718×589
- 2020/11/26 17:07
- 61.9 KB
- bond_boost_packmol-big08.png
- 717×474
- 2020/11/26 17:07
- 48.7 KB
- bsse01.jpg
- 1836×741
- 2019/12/07 09:48
- 191.8 KB
- bsse02.jpg
- 1840×740
- 2019/12/07 09:48
- 199.7 KB
- buildererror01.png
- 744×797
- 2023/11/01 00:09
- 61.4 KB
- builder_density01.png
- 998×674
- 2016/03/09 10:14
- 89.5 KB
- burnhy_amsmovie_event_1.png
- 1202×624
- 2024/05/27 10:02
- 33.7 KB
- burning_isooctane.mp4
- 2024/02/05 13:26
- 6.2 MB
- burning_isooctane_2.png
- 1775×978
- 2024/02/05 12:34
- 196.6 KB
- burning_isooctane_3.png
- 1727×979
- 2024/02/05 12:42
- 192.7 KB
- burning_isooctane_4.png
- 1727×979
- 2024/02/05 12:48
- 181 KB
- burning_isooctane_5.png
- 1614×635
- 2024/02/05 13:30
- 162.5 KB
- c2h2.rar
- 2019/12/18 22:53
- 96.8 KB
- c6h10o-chcl3-ex.zip
- 2019/12/18 23:10
- 9.1 MB
- c6h10o-cosmo-chloroform-ex.zip
- 2019/12/18 23:12
- 5.1 MB
- c6h10o-cosmo-water-ex.zip
- 2019/12/18 23:13
- 5.1 MB
- c6h10o-ex.rar
- 2019/12/18 23:06
- 4.2 MB
- c6h10o-water-ex.zip
- 2019/12/18 23:11
- 6.6 MB
- c4512db4e62c48459b6e7f370450de2b.jpg
- 931×614
- 2024/04/24 22:36
- 139.5 KB
- c6244db9-602c-48c3-8e9f-5124c6b12695.png
- 862×234
- 2022/10/14 20:23
- 19.5 KB
- cal_vis.zip
- 2023/04/24 17:25
- 562 B
- cannotgenerate01.jpg
- 882×919
- 2022/10/10 22:07
- 127.2 KB
- catch14d1_11-04-21-59-58_.jpg
- 1888×620
- 2022/11/04 22:00
- 329.8 KB
- catch4642_11-04-22-47-15_.jpg
- 428×124
- 2022/11/04 22:48
- 22.2 KB
- catch7643_07-15-19-19-20_.jpg
- 1659×907
- 2019/07/15 22:37
- 157.8 KB
- catchb191_09-28-10-47-40_.jpg
- 448×619
- 2022/09/28 10:48
- 162.7 KB
- catchce66_07-10-14-11-36_.jpg
- 1332×660
- 2020/07/10 14:18
- 153.3 KB
- catch_02-16-16-50-40_.jpg
- 1080×817
- 2023/03/17 16:04
- 234.3 KB
- cc912f5770b6d0e2a07a21dcf43cbe79.png
- 1517×1253
- 2024/05/22 19:26
- 442.2 KB
- cdd_excitation01.jpg
- 700×485
- 2015/05/18 18:43
- 66.4 KB
- cdd_excitation01.png
- 1372×669
- 2020/12/01 23:26
- 154.7 KB
- cdd_excitation02.jpg
- 696×488
- 2015/05/18 18:44
- 57.6 KB
- cdd_excitation02.png
- 1369×674
- 2020/12/01 23:26
- 177.6 KB
- cdd_excitation03.jpg
- 700×488
- 2015/05/18 18:45
- 56.3 KB
- cdd_excitation03.png
- 1372×720
- 2019/12/08 16:25
- 146.2 KB
- cdd_excitation04.jpg
- 699×489
- 2015/05/18 18:54
- 51.4 KB
- cdd_excitation04.png
- 1372×669
- 2020/12/01 23:26
- 187 KB
- cdd_excitation05.jpg
- 467×381
- 2015/05/18 18:58
- 50.7 KB
- cdd_excitation05.png
- 1376×675
- 2020/12/01 23:26
- 145.6 KB
- cdd_excitation06.jpg
- 534×349
- 2015/05/18 18:59
- 50.2 KB
- cdd_excitation06.png
- 1011×679
- 2020/12/01 23:27
- 122.6 KB
- cdd_excitation07.jpg
- 534×348
- 2015/05/18 19:02
- 38.5 KB
- cdd_excitation07.png
- 834×580
- 2020/12/01 23:27
- 60 KB
- cdd_excitation08.jpg
- 581×357
- 2015/05/18 20:57
- 43.5 KB
- cdd_excitation08.png
- 842×580
- 2020/12/01 23:27
- 67.2 KB
- cdd_excitation09.jpg
- 643×405
- 2015/05/18 19:11
- 62.5 KB
- cdd_ground01.jpg
- 948×482
- 2015/05/18 22:49
- 72.4 KB
- cdd_ground01.png
- 1382×805
- 2019/12/05 15:16
- 126.8 KB
- cdd_ground02.jpg
- 946×484
- 2015/05/18 22:53
- 79.1 KB
- cdd_ground02.png
- 1380×807
- 2019/12/05 15:16
- 188.5 KB
- cdd_ground03.jpg
- 949×485
- 2015/05/18 23:03
- 82.3 KB
- cdd_ground03.png
- 1383×809
- 2019/12/05 15:16
- 192.3 KB
- cdd_ground04.jpg
- 946×486
- 2015/05/18 23:05
- 95.1 KB
- cdd_ground04.png
- 1386×807
- 2019/12/05 15:16
- 210 KB
- cdd_ground05.jpg
- 562×412
- 2015/05/18 23:08
- 59.3 KB
- cdd_ground05.png
- 977×650
- 2019/12/05 15:16
- 65.7 KB
- cdd_ground06.jpg
- 689×409
- 2015/05/18 23:09
- 65.2 KB
- cdd_ground06.png
- 974×1091
- 2019/12/05 15:16
- 154 KB
- cdd_ground07.jpg
- 562×409
- 2015/05/18 23:14
- 61.9 KB
- cdd_ground07.png
- 977×648
- 2019/12/05 15:16
- 151 KB
- cdd_ground08.jpg
- 564×431
- 2015/05/18 23:14
- 60.7 KB
- cdd_ground09.jpg
- 563×410
- 2015/05/18 23:17
- 52.2 KB
- cdft-adf01.png
- 1924×1070
- 2016/10/14 18:43
- 262.4 KB
- cdft-adf02.png
- 1900×1104
- 2016/10/14 12:56
- 223.5 KB
- cdft-adf03.png
- 1900×1104
- 2016/10/14 12:56
- 255.3 KB
- cdft01.png
- 1044×689
- 2020/07/15 17:55
- 191.1 KB
- cdft02.png
- 1050×693
- 2020/07/15 17:55
- 183.7 KB
- cdft03.png
- 1050×691
- 2020/07/15 17:55
- 194.1 KB
- cdft04.png
- 995×643
- 2020/07/15 18:04
- 229.1 KB
- cell-slab01.png
- 529×750
- 2020/02/08 02:04
- 131 KB
- cell-slab02.png
- 949×1119
- 2020/02/08 02:25
- 348.3 KB
- cell-slab03.png
- 850×959
- 2020/11/25 18:24
- 191.1 KB
- cell-slab04.png
- 856×969
- 2020/11/25 18:24
- 186.3 KB
- cell-slab05.png
- 854×965
- 2020/11/25 18:24
- 186.1 KB
- cell-slab05_1_.png
- 854×965
- 2020/11/25 18:24
- 186.1 KB
- cell-slab06.png
- 903×863
- 2020/02/08 02:17
- 67.5 KB
- cell-slab07.png
- 1572×811
- 2020/11/25 18:24
- 193.3 KB
- cell-slab08.png
- 1572×811
- 2020/11/25 18:24
- 252.7 KB
- cell-slab09.png
- 720×774
- 2020/02/08 02:23
- 68.5 KB
- ch2o.rar
- 2019/12/18 22:54
- 75.2 KB
- changecell01.png
- 900×554
- 2016/10/31 16:13
- 23.6 KB
- changecell02.png
- 890×766
- 2016/10/31 16:13
- 32.1 KB
- chargeofreaxff202101.png
- 1568×875
- 2021/08/14 13:49
- 326.4 KB
- chargeofreaxff202102.png
- 1764×884
- 2021/08/14 13:49
- 314.1 KB
- chargeofreaxff202103.png
- 1574×880
- 2021/08/14 13:49
- 342.3 KB
- chargeofreaxff202104.png
- 1580×884
- 2021/08/14 13:49
- 407.3 KB
- chargeofreaxff202105.png
- 1578×884
- 2021/08/14 13:49
- 407.6 KB
- chargetransfer2009-01.png
- 1000×877
- 2019/12/18 21:01
- 58.2 KB
- chemtrazyer20sss.png
- 668×932
- 2024/05/27 10:00
- 66.6 KB
- chemtrazyer21sss-1536x677.png
- 1536×677
- 2024/05/27 10:04
- 452.7 KB
- chemtrazyer22sss-1536x768.png
- 1536×768
- 2024/05/27 10:05
- 208.9 KB
- chemtrazyer23sss-1536x768.png
- 1536×768
- 2024/05/27 10:05
- 182.5 KB
- chem_with_adf引用率图.jpg
- 529×438
- 2015/04/13 18:58
- 24.8 KB
- chozn.rar
- 2024/01/26 18:37
- 2.7 KB
- close-shell-at.rar
- 2020/11/23 14:15
- 46.3 KB
- collapse01.png
- 308×374
- 2016/06/02 23:47
- 13.2 KB
- collapse02.png
- 1393×825
- 2019/12/10 11:45
- 172.8 KB
- collapse03.png
- 1862×1126
- 2016/06/02 23:51
- 106.8 KB
- collapse04.png
- 1862×1126
- 2016/06/02 23:52
- 124.9 KB
- collapse05.png
- 890×770
- 2019/12/10 11:49
- 32.2 KB
- collapse06.png
- 890×770
- 2019/12/10 11:49
- 31.7 KB
- collapse07.png
- 890×770
- 2019/12/10 11:49
- 36.5 KB
- collapse08.png
- 890×770
- 2019/12/10 11:49
- 40.6 KB
- collapse09.png
- 1200×1310
- 2016/06/03 00:07
- 78.7 KB
- colombpotentialofbandtmp.png
- 1460×921
- 2023/09/21 11:32
- 328 KB
- coloroforbital01.png
- 612×592
- 2017/03/17 10:00
- 98.8 KB
- coloroforbital02.png
- 542×597
- 2017/03/17 10:00
- 116.3 KB
- coloroforbital03.png
- 612×592
- 2017/03/17 10:00
- 142.9 KB
- combustion_and_flame_2018_.png
- 1755×1399
- 2022/05/19 21:33
- 3.5 MB
- concatenatescripts.rar
- 2023/10/18 17:18
- 1.4 KB
- concatenate_at_once.rar
- 2023/10/18 16:53
- 2.3 KB
- concatenate_smart.rar
- 2022/12/13 19:42
- 704 B
- conformer01.png
- 1389×970
- 2023/04/23 15:21
- 209.2 KB
- conformer02.png
- 1799×967
- 2023/04/23 15:21
- 146.8 KB
- conformer03.png
- 1379×958
- 2023/04/23 15:46
- 141.8 KB
- conformer04.png
- 1797×965
- 2023/04/23 15:46
- 147.1 KB
- conformer05.png
- 1387×967
- 2023/04/23 16:03
- 137.1 KB
- conformer06.png
- 1388×967
- 2023/04/23 16:03
- 100.8 KB
- conformer07.png
- 1397×972
- 2023/04/23 16:23
- 110.8 KB
- conformer08.png
- 1386×966
- 2023/04/23 16:23
- 121.5 KB
- conformer09.png
- 1387×972
- 2023/04/23 16:23
- 126.7 KB
- conformer10.png
- 2047×1704
- 2023/04/23 16:34
- 566.7 KB
- conformer11.png
- 1098×543
- 2023/04/23 16:53
- 49 KB
- conformer12.png
- 1412×888
- 2023/06/14 17:06
- 120.5 KB
- conformer13.png
- 1394×880
- 2023/06/14 17:07
- 113.7 KB
- constraints_panel.png
- 1018×464
- 2023/12/27 16:52
- 84.3 KB
- controlspin01.png
- 1413×900
- 2019/12/09 21:20
- 148.5 KB
- controlspin02.png
- 1417×900
- 2019/12/09 21:20
- 140.3 KB
- controlspin03.png
- 1403×899
- 2019/12/09 21:20
- 115.2 KB
- controlspin04.png
- 1050×707
- 2018/11/18 00:33
- 171.3 KB
- controlspin05.png
- 594×857
- 2018/11/18 00:33
- 199 KB
- controlspin99.png
- 1285×726
- 2020/11/30 18:57
- 131.8 KB
- conventionalcell01.png
- 1657×945
- 2019/09/22 18:24
- 235.5 KB
- conventionalcell02.png
- 1658×940
- 2019/09/22 18:24
- 413.4 KB
- conventionalcell03.png
- 1654×944
- 2019/09/22 18:31
- 366.7 KB
- coopband01.png
- 1749×908
- 2018/12/13 00:09
- 104.4 KB
- coopband010.jpg
- 1662×466
- 2019/03/19 23:18
- 47.4 KB
- coopband010.png
- 1422×403
- 2020/02/25 17:20
- 24.3 KB
- coopband02.png
- 1576×924
- 2019/12/09 23:57
- 194 KB
- coopband03.png
- 1568×920
- 2019/12/09 23:57
- 184.5 KB
- coopband04.png
- 1572×924
- 2019/12/09 23:57
- 181.9 KB
- coopband05.png
- 1573×914
- 2019/12/09 23:57
- 151.6 KB
- coopband06.png
- 2561×1421
- 2018/12/13 00:44
- 99.7 KB
- coopband07.png
- 1067×261
- 2018/12/13 00:45
- 26.1 KB
- coopband08.png
- 1067×402
- 2018/12/13 00:45
- 61.9 KB
- coopband09.png
- 1994×906
- 2018/12/13 01:03
- 202 KB
- coopband10.png
- 950×262
- 2018/12/13 01:14
- 63.6 KB
- coopband11.png
- 2957×1441
- 2018/12/13 01:19
- 109.2 KB
- coopband12.png
- 2955×1441
- 2018/12/13 01:19
- 101.2 KB
- coopband13.png
- 598×375
- 2018/12/13 01:35
- 17.1 KB
- coopband14.png
- 1749×1501
- 2018/12/13 01:47
- 173.8 KB
- cores.png
- 1010×551
- 2020/11/14 11:00
- 43.8 KB
- coskf01.png
- 2100×1350
- 2016/04/29 23:29
- 149.8 KB
- coskf02.png
- 2100×1350
- 2016/04/29 23:29
- 139.9 KB
- cosmo-parameters-gui.png
- 712×1030
- 2021/04/15 23:49
- 112.8 KB
- cosmo-rs.rar
- 2022/11/04 23:57
- 5.2 MB
- cosmo-rshbonds.png
- 700×1020
- 2021/01/12 18:00
- 112.1 KB
- cosmo-rs预测流体热力学性质.mp4
- 2022/04/28 10:47
- 22.3 MB
- cosmors_workshop_2024_v1.pdf
- 2024/05/27 16:42
- 11.7 MB
- cosmosurfacecharge01.png
- 868×524
- 2020/11/27 19:53
- 243.3 KB
- cosmosurfacecharge02.png
- 868×555
- 2020/11/27 19:53
- 210.4 KB
- cosmosurfacecharge03.png
- 869×599
- 2020/11/27 19:53
- 266.3 KB
- cosmounifac01.png
- 1647×1078
- 2021/01/28 13:06
- 95.8 KB
- cosmounifac02.png
- 993×459
- 2021/01/28 13:07
- 129.5 KB
- cosmounifac03.png
- 992×866
- 2021/01/28 13:12
- 31.9 KB
- cps_bulk01.png
- 1417×863
- 2020/11/30 19:50
- 163.5 KB
- cps_bulk02.png
- 1412×853
- 2020/11/30 19:50
- 104.7 KB
- cps_bulk03.png
- 1417×861
- 2020/11/30 19:50
- 152.7 KB
- cps_bulk04.png
- 1062×665
- 2020/11/30 19:50
- 65.1 KB
- creatmolecule.rar
- 2019/12/18 21:35
- 6.1 MB
- creatregion00008.jpg
- 1788×967
- 2023/06/13 15:51
- 251.9 KB
- creatregion00009.jpg
- 2133×1017
- 2023/06/13 15:48
- 153.5 KB
- cross-link-density.rar
- 2020/11/26 16:48
- 916 B
- ct01.png
- 1357×721
- 2019/12/05 12:29
- 181.8 KB
- ct02.png
- 1354×719
- 2019/12/05 12:29
- 234.1 KB
- ct03.png
- 1351×720
- 2019/12/05 12:29
- 227.7 KB
- ct04.png
- 1355×716
- 2019/12/05 12:29
- 227 KB
- ct05.png
- 1355×722
- 2019/12/05 12:29
- 219.2 KB
- ct06.png
- 1364×756
- 2016/08/01 23:11
- 85.5 KB
- curvestepstotime01.png
- 928×452
- 2018/10/16 19:41
- 172.3 KB
- curvestepstotime02.png
- 928×452
- 2018/10/16 19:43
- 195.3 KB
- curvestepstotime03.png
- 928×452
- 2018/10/16 19:47
- 178.7 KB
- cutofview.png
- 1410×886
- 2020/12/17 20:16
- 257.6 KB
- cutofview2.png
- 590×339
- 2020/12/17 20:20
- 40.7 KB
- cutofview3.png
- 1402×881
- 2020/12/17 20:20
- 240 KB
- cvd001.png
- 1535×894
- 2023/10/05 23:01
- 434.8 KB
- cvd002.png
- 1536×888
- 2023/10/05 23:06
- 327 KB
- cvd003.png
- 1538×888
- 2023/10/05 23:09
- 329.5 KB
- cvd004.png
- 1540×892
- 2023/10/05 23:12
- 345.1 KB
- cvd005.png
- 714×852
- 2023/10/05 23:15
- 71.2 KB
- cvd006.png
- 714×470
- 2023/10/05 23:18
- 53.4 KB
- cvd007.png
- 713×489
- 2023/10/05 23:30
- 61.6 KB
- cvd008.png
- 743×248
- 2023/10/05 23:30
- 41.1 KB
- cvd009.png
- 1537×894
- 2023/10/05 23:46
- 339 KB
- cvd010.png
- 713×1418
- 2023/10/05 23:55
- 148.1 KB
- cvd011.png
- 713×338
- 2023/10/06 00:12
- 37.8 KB
- cvd012.png
- 1200×2540
- 2023/10/06 00:20
- 2.6 MB
- cyclohexene-ets-nocv.zip
- 2019/12/18 22:41
- 7.4 MB
- d7fc29d4-c577-4cb9-a099-a481e512ec83.png
- 943×193
- 2019/07/01 10:49
- 136 KB
- davidson_stddft_stda.zip
- 2019/12/18 21:41
- 15.8 MB
- densities.rar
- 2021/11/09 10:38
- 865 B
- density01.jpg
- 1044×688
- 2019/12/05 16:18
- 41.5 KB
- density02.jpg
- 1039×688
- 2019/12/05 16:18
- 66 KB
- density03.jpg
- 1147×693
- 2019/12/05 16:18
- 111 KB
- density04.jpg
- 514×478
- 2014/11/24 14:39
- 33.7 KB
- density05.jpg
- 518×474
- 2014/11/24 14:39
- 55.8 KB
- density06.jpg
- 471×514
- 2014/11/24 14:52
- 39.7 KB
- density07.jpg
- 507×464
- 2014/11/24 14:52
- 44.3 KB
- depositionsetup.svg
- 2023/10/05 22:36
- 39.1 KB
- detailsofatoms.png
- 750×349
- 2019/07/22 10:58
- 64.1 KB
- detda_bisf.rar
- 2020/11/26 15:15
- 1.6 KB
- dftb-md-dssc-water-dye-tio2.jpg
- 990×1428
- 2021/02/23 21:22
- 229.1 KB
- dftbeda01.png
- 995×619
- 2022/03/08 17:36
- 53.5 KB
- dftbeda02.png
- 1001×618
- 2022/03/08 17:36
- 68.1 KB
- dftbeda03.png
- 1000×612
- 2022/03/08 17:36
- 67.8 KB
- dftbeda04.png
- 733×453
- 2022/03/08 17:36
- 11.1 KB
- dftbmd01.png
- 2097×1282
- 2018/12/13 14:09
- 282.9 KB
- dftbmd01_2.png
- 1413×930
- 2019/12/10 09:28
- 162.3 KB
- dftbmd01_3.png
- 1417×926
- 2019/12/10 09:29
- 233.3 KB
- dftbmd01_4.png
- 1414×923
- 2019/12/10 09:31
- 216.5 KB
- dftbmd02.png
- 1406×920
- 2019/12/10 09:34
- 184.3 KB
- dftbmd03.png
- 1415×926
- 2019/12/10 09:37
- 189.5 KB
- dftbmd04.png
- 1414×844
- 2019/12/10 09:37
- 164.3 KB
- dftbmd05.png
- 1050×642
- 2018/12/13 14:09
- 136.7 KB
- dftbmd06.png
- 1050×642
- 2018/12/13 14:09
- 155.8 KB
- dftbmd07.png
- 1200×622
- 2018/12/13 14:09
- 156 KB
- dftbmdmethod.png
- 711×488
- 2019/12/13 19:28
- 45.7 KB
- dftbopt01.png
- 1499×819
- 2019/10/15 21:54
- 230.5 KB
- dftbopt02.png
- 1498×927
- 2019/10/15 21:54
- 302 KB
- dftmd01.jpg
- 1738×1064
- 2019/03/20 09:36
- 130.6 KB
- dftmd01.png
- 1436×875
- 2020/11/30 16:47
- 189.2 KB
- dftmd02.jpg
- 1743×1062
- 2019/03/20 09:36
- 132.3 KB
- dftmd02.png
- 1439×871
- 2020/11/30 16:47
- 181.4 KB
- dftmd03.jpg
- 1751×1066
- 2019/03/20 09:36
- 122.9 KB
- dftmd03.png
- 1438×866
- 2020/11/30 16:47
- 164.9 KB
- dftmd04.jpg
- 1738×1048
- 2019/03/20 09:36
- 112.1 KB
- dftmd04.png
- 2126×1042
- 2016/05/02 18:29
- 166 KB
- dftmd99.png
- 476×379
- 2020/12/19 16:03
- 14 KB
- dftmdcase01.png
- 1046×654
- 2020/12/19 16:19
- 122.6 KB
- dftmdcase02.png
- 1039×652
- 2020/12/19 16:22
- 116.6 KB
- dftmdcase03.png
- 1043×650
- 2020/12/19 16:26
- 117 KB
- dftmdcase04.png
- 1042×599
- 2020/12/19 16:26
- 90.8 KB
- dftmdcase05.png
- 1042×647
- 2020/12/19 16:26
- 103.7 KB
- dftmdcase06.png
- 1195×634
- 2020/12/19 16:32
- 167.6 KB
- dftmdcase07.png
- 1195×630
- 2020/12/19 16:32
- 163.4 KB
- diamond.png
- 1397×1017
- 2024/05/12 15:37
- 176.2 KB
- diele01.png
- 1565×967
- 2020/12/01 18:57
- 196.1 KB
- diele02.png
- 1574×971
- 2020/12/01 18:57
- 228.4 KB
- diffusion001.png
- 251×87
- 2022/03/10 18:58
- 4.5 KB
- diffusion002.png
- 286×78
- 2022/03/10 18:58
- 3.2 KB
- diffusion01.png
- 1431×921
- 2019/12/10 13:38
- 384.6 KB
- diffusion02.png
- 1432×921
- 2019/12/10 13:38
- 359.3 KB
- diffusionofli01.png
- 1475×875
- 2023/10/05 17:49
- 289.1 KB
- diffusionofli02.png
- 1476×879
- 2023/10/05 17:49
- 378.4 KB
- diffusionofli03.png
- 1479×879
- 2023/10/05 18:03
- 338.3 KB
- diffusionofli04.png
- 1476×871
- 2023/10/05 18:03
- 341.5 KB
- diffusionofli05.png
- 480×384
- 2023/10/05 18:03
- 32.6 KB
- diffusionofli06.png
- 1200×635
- 2023/10/05 18:05
- 180.6 KB
- diffusionofli07.png
- 1475×885
- 2023/10/05 18:27
- 339.9 KB
- diffusionofli08.png
- 1468×876
- 2023/10/05 18:27
- 343.8 KB
- diffusionofli09.png
- 1479×884
- 2023/10/05 18:53
- 339.9 KB
- diffusionofli10.png
- 923×618
- 2023/10/05 18:53
- 72.6 KB
- diffusionofli11.png
- 1787×964
- 2023/10/05 18:53
- 297.3 KB
- diffusionofli12.png
- 921×582
- 2023/10/05 19:01
- 64.9 KB
- diffusionofli13.png
- 1790×960
- 2023/10/05 19:01
- 312.2 KB
- diffusionrdf01.png
- 1337×845
- 2023/05/04 23:26
- 498.3 KB
- diffusionrdf02.png
- 1327×838
- 2023/05/04 23:26
- 502.2 KB
- diffusionrdf03.png
- 1335×843
- 2023/05/04 23:26
- 496.5 KB
- diffusionrdf04.png
- 956×943
- 2023/05/04 23:33
- 108.8 KB
- diffusionrdf05.png
- 1461×1226
- 2023/05/04 23:39
- 151.3 KB
- dipolemoment01.png
- 1796×794
- 2016/07/06 21:40
- 74.8 KB
- dirackpoint.png
- 595×352
- 2023/03/22 09:26
- 38.3 KB
- display01.jpg
- 158×122
- 2014/11/25 15:24
- 10.2 KB
- display02.jpg
- 293×220
- 2014/11/25 15:24
- 23.9 KB
- display03.jpg
- 493×172
- 2014/11/25 15:24
- 25.1 KB
- display04.jpg
- 753×392
- 2014/11/25 15:24
- 55.7 KB
- display05.jpg
- 1012×679
- 2015/02/15 20:30
- 116.8 KB
- display06.jpg
- 1007×676
- 2015/02/15 20:33
- 88.2 KB
- display07.jpg
- 1010×681
- 2015/02/15 20:33
- 147.2 KB
- distanceofisosurface01.jpg
- 1999×1189
- 2020/06/22 19:58
- 500.5 KB
- distanceofisosurface02.jpg
- 941×268
- 2020/06/22 19:58
- 164.2 KB
- drugs01.png
- 1031×495
- 2017/10/24 11:25
- 122.5 KB
- drugs02.png
- 1031×495
- 2017/10/24 11:25
- 119.3 KB
- drugs03.png
- 1031×495
- 2017/10/24 11:38
- 172.7 KB
- drugs04.png
- 914×888
- 2017/10/24 11:42
- 406.4 KB
- drugs05.png
- 914×888
- 2017/10/24 11:51
- 399 KB
- drugs06.png
- 1100×507
- 2017/10/24 12:04
- 133.2 KB
- drugs07.png
- 1100×507
- 2017/10/24 12:10
- 78.5 KB
- drugs08.png
- 1100×522
- 2017/10/24 12:10
- 325.6 KB
- drugs09.png
- 1100×507
- 2017/10/24 12:10
- 83.2 KB
- drugs10.png
- 1100×583
- 2017/10/24 12:16
- 172 KB
- drugs11.png
- 1460×454
- 2017/10/24 12:23
- 223.6 KB
- drugs12.png
- 1634×881
- 2017/10/24 12:36
- 309.1 KB
- drugs13.png
- 1634×881
- 2017/10/24 12:49
- 301.9 KB
- e1a0313d-4808-4725-bcda-87208f55d290.png
- 3107×1274
- 2023/08/02 20:38
- 318.5 KB
- e8e2ea92-15aa-4217-95d5-8a2937394a33.png
- 1178×84
- 2016/08/17 11:06
- 186.2 KB
- e55e6b96-92a0-4485-918c-f42ba08dc237.png
- 1418×931
- 2023/05/09 09:23
- 238 KB
- ecd01.png
- 1524×418
- 2017/09/01 14:04
- 307.4 KB
- ecd02.png
- 1392×429
- 2017/09/01 14:04
- 248.2 KB
- ecd03.png
- 1345×690
- 2020/12/02 15:58
- 160.9 KB
- ecd04.png
- 1349×690
- 2020/12/02 15:58
- 192.2 KB
- ecd05.png
- 872×383
- 2019/12/09 00:27
- 47.4 KB
- ecd06.png
- 872×383
- 2019/12/09 00:27
- 54.5 KB
- ecd07.png
- 866×984
- 2020/12/02 15:58
- 318.3 KB
- ecd08.png
- 1048×894
- 2017/09/01 14:56
- 356.8 KB
- ecd10.png
- 872×1034
- 2020/12/02 15:58
- 313.7 KB
- ecd11.png
- 1371×1033
- 2020/12/02 15:58
- 441.2 KB
- ecd12.png
- 319×204
- 2017/09/04 12:11
- 45.4 KB
- ece85f6b-ef72-4e54-b6f4-0615e8bfe5d3.png
- 788×1176
- 2024/05/31 16:02
- 188.7 KB
- eda001.png
- 1560×459
- 2017/05/27 18:01
- 119.7 KB
- edanocvscience001.jpg
- 1821×927
- 2023/11/28 19:09
- 177.2 KB
- edanocvscience002.jpg
- 833×519
- 2023/11/28 19:10
- 62 KB
- edn01.jpg
- 1389×758
- 2019/12/04 20:10
- 81 KB
- edn02.jpg
- 1395×763
- 2019/12/04 20:10
- 84.6 KB
- edn03.jpg
- 687×192
- 2015/03/12 19:57
- 47.8 KB
- ef01.png
- 479×667
- 2016/04/05 17:13
- 10.7 KB
- ef0112.png
- 917×482
- 2022/02/07 16:17
- 40.3 KB
- efield01.jpg
- 315×157
- 2015/11/04 22:47
- 30.6 KB
- efield01.png
- 942×1242
- 2016/10/04 11:46
- 46.9 KB
- efield02.jpg
- 116×51
- 2015/11/04 22:48
- 5.7 KB
- eh01.png
- 1569×507
- 2021/12/03 13:53
- 49 KB
- elastictensor01.png
- 1620×1017
- 2023/08/13 00:40
- 184.9 KB
- elastictensor02.png
- 1616×1017
- 2023/08/13 00:40
- 165.8 KB
- elastictensor03.png
- 1619×1013
- 2023/08/13 00:40
- 131.2 KB
- elastictensor04.png
- 1620×1019
- 2023/08/13 00:46
- 131.2 KB
- elasticwall01.png
- 974×530
- 2022/03/01 19:19
- 33.3 KB
- elasticwall02.png
- 977×525
- 2022/03/01 19:19
- 68.4 KB
- elasticwall03.png
- 974×526
- 2022/03/01 19:22
- 59.7 KB
- elasticwall04.png
- 1056×645
- 2022/03/01 19:31
- 127.5 KB
- electrondensityatnulcei01.png
- 1512×1196
- 2016/10/01 20:57
- 237.7 KB
- electrondensityatnulcei02.png
- 1474×738
- 2016/10/01 21:42
- 134.5 KB
- elf01.png
- 1152×652
- 2020/12/01 17:26
- 222.9 KB
- elf02.png
- 1153×652
- 2020/12/01 17:26
- 314.9 KB
- elf03.png
- 1156×652
- 2020/12/01 17:26
- 316.2 KB
- elfatbcp.png
- 1092×648
- 2020/12/01 16:57
- 116.9 KB
- elfatbcps.png
- 989×388
- 2018/02/08 20:25
- 66.9 KB
- elfband01.png
- 1575×880
- 2020/12/01 10:25
- 213.1 KB
- elfband02.png
- 1577×883
- 2020/12/01 10:25
- 201 KB
- elfband03.png
- 1571×886
- 2020/12/01 10:25
- 161.4 KB
- elfband04.png
- 1123×771
- 2020/12/01 10:25
- 276 KB
- emim-ntf2.rar
- 2022/03/22 18:05
- 840 B
- emissionofpho01.png
- 422×302
- 2017/03/02 18:00
- 39.1 KB
- emissionofpho02.png
- 780×398
- 2017/03/02 19:11
- 83.1 KB
- en.rar
- 2021/12/03 13:53
- 1.2 KB
- energytemrsofreaxff.png
- 1178×751
- 2024/04/02 22:09
- 99.6 KB
- energytemrsofreaxff02.png
- 1661×1210
- 2024/04/02 22:12
- 401 KB
- energytemrsofreaxff03.png
- 1790×968
- 2024/04/02 22:14
- 319 KB
- energytemrsofreaxff04.png
- 1708×911
- 2024/04/02 22:21
- 98.4 KB
- environment01.png
- 479×697
- 2016/03/08 19:17
- 17.6 KB
- environment02.png
- 483×696
- 2016/03/18 18:43
- 13.9 KB
- epr01.png
- 584×274
- 2016/04/12 20:00
- 47.6 KB
- epr02.png
- 488×274
- 2016/04/12 20:28
- 5.2 KB
- epr03.png
- 482×265
- 2016/04/12 20:29
- 4.7 KB
- epr04.png
- 398×138
- 2016/04/20 20:08
- 7.6 KB
- ereaxff-moleculegun-adf2017.mp4
- 2020/03/31 10:57
- 52.1 MB
- ereaxff01.png
- 1447×731
- 2021/08/09 22:00
- 180.6 KB
- ereaxff02.png
- 1388×910
- 2021/08/09 22:04
- 386.8 KB
- ereaxff03.png
- 1387×1034
- 2021/08/09 22:11
- 413.9 KB
- ereaxff04.png
- 1398×1034
- 2021/08/09 22:24
- 382.9 KB
- ereaxff05.png
- 1396×1038
- 2021/08/09 22:24
- 384.2 KB
- ereaxff06.png
- 1396×776
- 2021/08/09 22:30
- 249 KB
- ereaxff07.png
- 1393×770
- 2021/08/09 22:30
- 255.6 KB
- ereaxff08.png
- 1572×835
- 2021/08/11 14:51
- 337.3 KB
- ereaxff09.png
- 1435×796
- 2021/08/09 22:38
- 230.2 KB
- ereaxff模拟电子转移.mp4
- 2022/04/28 10:48
- 29.9 MB
- ereox01.png
- 382×91
- 2021/12/15 17:55
- 6.6 KB
- ereox02.png
- 386×49
- 2021/12/15 18:11
- 5.1 KB
- esr001.png
- 1361×646
- 2020/12/02 17:08
- 127.6 KB
- esr002.png
- 902×496
- 2018/02/12 13:25
- 83 KB
- esr003.png
- 1362×650
- 2020/12/02 17:08
- 117.1 KB
- esr004.png
- 1362×646
- 2020/12/02 17:08
- 110.7 KB
- esr005.png
- 1359×649
- 2020/12/02 17:23
- 129.8 KB
- esr006.png
- 1364×652
- 2020/12/02 17:23
- 121.8 KB
- esr007.png
- 1361×654
- 2020/12/02 17:23
- 110.7 KB
- esr008.png
- 1360×648
- 2020/12/02 17:23
- 116.7 KB
- esr013.png
- 1351×694
- 2020/12/02 17:41
- 128.8 KB
- esr014.png
- 1356×689
- 2020/12/02 17:41
- 119.6 KB
- esr015.png
- 1355×687
- 2020/12/02 17:41
- 116.7 KB
- esr016.png
- 912×473
- 2018/02/12 16:12
- 84.7 KB
- esr022.png
- 718×419
- 2019/12/07 15:32
- 33.1 KB
- ethanol_water_1_bar.png
- 1920×1440
- 2023/05/13 18:37
- 120.2 KB
- ets-nocv01.png
- 994×669
- 2015/11/08 23:41
- 73.5 KB
- ets-nocv02.png
- 930×394
- 2015/11/08 23:41
- 39.2 KB
- ets-nocv03.png
- 931×393
- 2015/11/08 23:41
- 36.7 KB
- ets-nocv04.png
- 1003×747
- 2015/11/08 23:48
- 46.8 KB
- ets-nocv05.png
- 486×529
- 2015/11/08 23:56
- 22 KB
- ets-nocv06.png
- 942×457
- 2015/11/09 00:07
- 21.9 KB
- ets-nocv07.png
- 374×529
- 2015/11/09 00:15
- 18.8 KB
- ets-nocv08.png
- 969×450
- 2015/11/09 00:20
- 58.7 KB
- etsnocvp01.png
- 1018×464
- 2016/05/25 18:16
- 324.5 KB
- etsnocvp02.png
- 434×96
- 2016/05/25 20:03
- 17.7 KB
- etsnocvp03.png
- 402×90
- 2016/05/25 20:03
- 17.3 KB
- etsnocvp04.png
- 44×44
- 2016/05/25 20:09
- 5.8 KB
- etsnocvp05.png
- 314×102
- 2016/05/25 20:18
- 14.2 KB
- etsnocvp06.png
- 334×70
- 2016/05/25 20:18
- 11 KB
- etsnocvp07.png
- 660×140
- 2016/05/25 20:18
- 33.8 KB
- etsnocvp08.png
- 642×104
- 2016/05/25 22:31
- 30.6 KB
- etsnocvp09.png
- 2100×1350
- 2016/05/26 15:10
- 140.5 KB
- etsnocvp10.png
- 2086×1048
- 2016/05/26 15:10
- 127.5 KB
- etsnocvp11.png
- 2086×1048
- 2016/05/26 15:10
- 130.1 KB
- etsnocvp12.png
- 2086×1048
- 2016/05/26 15:10
- 152.6 KB
- etsnocvp13.png
- 2086×1048
- 2016/05/26 15:57
- 130.8 KB
- etsnocvp14.png
- 2086×1048
- 2016/05/26 15:58
- 125.5 KB
- etsnocvp15.png
- 1336×950
- 2016/05/26 15:20
- 67.1 KB
- etsnocvp16.png
- 688×414
- 2016/05/26 15:22
- 33.4 KB
- etsnocvp17.png
- 688×414
- 2016/05/26 15:26
- 33.6 KB
- etsnocvp18.png
- 1578×762
- 2016/05/26 17:47
- 423.9 KB
- etsnocvp19.png
- 1688×1868
- 2016/05/26 17:54
- 222.7 KB
- etsnocvp20.png
- 864×862
- 2016/05/26 18:19
- 535.7 KB
- etsnocvp21.png
- 1606×1874
- 2016/05/26 18:43
- 189.9 KB
- etsnocvp22.png
- 1606×1252
- 2016/05/26 18:59
- 375.9 KB
- etsnocvp23.png
- 1088×1104
- 2016/05/26 19:01
- 465.9 KB
- etsnocvp24.png
- 1354×1880
- 2016/05/26 19:10
- 195.8 KB
- etsnocvp25.png
- 2100×1350
- 2016/05/26 19:56
- 143.4 KB
- etsnocvp26.png
- 2100×1350
- 2016/05/26 19:56
- 132.9 KB
- etsnocvp27.png
- 1718×1194
- 2016/05/26 19:56
- 199.9 KB
- etsnocvp28.png
- 1798×1020
- 2016/05/26 20:03
- 531.2 KB
- etsnocvp29.png
- 560×630
- 2016/05/26 20:13
- 177.3 KB
- etsnocvp30.png
- 1772×1212
- 2016/05/26 22:15
- 172.2 KB
- etsnocvp31.png
- 1772×1212
- 2016/05/26 22:15
- 162.9 KB
- etsnocvp32.png
- 1772×1212
- 2016/05/26 22:15
- 158.6 KB
- etsnocvp33.png
- 1772×1212
- 2016/05/26 22:15
- 166 KB
- etsnocvp34.png
- 1772×1212
- 2016/05/26 22:15
- 159.3 KB
- etsnocvp35.png
- 1772×1212
- 2016/05/26 22:15
- 163 KB
- etsnocvp36.png
- 1704×1258
- 2016/05/26 22:26
- 132 KB
- etsnocvp37.png
- 1824×1182
- 2016/05/26 22:26
- 137.8 KB
- etsnocvp38.png
- 1378×938
- 2016/05/26 22:43
- 71.9 KB
- etsnocvp39.png
- 1542×806
- 2016/05/26 22:43
- 62.3 KB
- etsnocvp40.png
- 1336×950
- 2016/05/26 22:33
- 84 KB
- etsnocvp41.png
- 680×246
- 2016/05/26 22:45
- 18.4 KB
- etsnocvp42.png
- 2132×1184
- 2016/05/26 22:49
- 489.7 KB
- etsnocvp43.png
- 1750×1870
- 2016/05/26 22:53
- 223.3 KB
- etsnocvp44.png
- 1068×466
- 2016/05/26 23:02
- 339.4 KB
- etsnocvp45.png
- 1762×1942
- 2016/05/26 23:09
- 248.3 KB
- etsnocvp46.png
- 1512×1176
- 2016/05/26 23:12
- 207 KB
- etsnocvp47.png
- 1380×1834
- 2016/05/26 23:22
- 207.8 KB
- etsnocvp48.png
- 1654×1884
- 2016/05/26 23:33
- 279 KB
- etsnocvp49.png
- 1654×1250
- 2016/05/26 23:41
- 241.9 KB
- etsnocvp50.png
- 478×564
- 2016/05/26 23:43
- 152.5 KB
- etsnocvp51.png
- 1346×1914
- 2016/05/26 23:44
- 214 KB
- ets_nocv_hcn.zip
- 2019/12/18 22:38
- 1.5 MB
- ets_nocv_hcn_charfrag.zip
- 2019/12/18 22:39
- 1.5 MB
- eupointdata01.png
- 1382×1451
- 2023/09/02 11:28
- 458.9 KB
- eutectics.rar
- 2021/11/05 13:22
- 2.3 KB
- evelinfo.png
- 1228×659
- 2019/06/04 21:44
- 114.9 KB
- ewall00.png
- 1574×804
- 2019/12/10 12:31
- 492.9 KB
- ewall00_2.png
- 1573×807
- 2019/12/10 12:31
- 361.5 KB
- ewall01.png
- 1107×570
- 2017/07/25 18:46
- 120.2 KB
- ewall02.png
- 1570×803
- 2019/12/10 12:38
- 266.6 KB
- ewall03.png
- 896×969
- 2019/12/10 12:43
- 302.7 KB
- excationerror01.png
- 699×588
- 2016/01/29 12:29
- 47.1 KB
- excationerror02.png
- 662×441
- 2016/01/29 12:33
- 20.4 KB
- exdipole01.jpeg
- 1798×1530
- 2016/12/15 10:52
- 257.1 KB
- exdipole01.png
- 1363×699
- 2019/12/08 17:55
- 117.2 KB
- exdipole02.jpeg
- 1858×994
- 2016/12/12 13:56
- 140.5 KB
- exdipole02.png
- 1363×702
- 2019/12/08 17:55
- 132.6 KB
- exdipole03.jpeg
- 1858×994
- 2016/12/12 13:56
- 139.4 KB
- exdipole03.png
- 1366×704
- 2019/12/08 17:55
- 114.2 KB
- exdipole04.jpeg
- 1848×1070
- 2016/12/15 10:52
- 116.1 KB
- exdipole04.png
- 1369×701
- 2019/12/08 17:55
- 139 KB
- exdipole05.jpeg
- 1858×994
- 2016/12/12 13:56
- 124 KB
- exdipole06.jpeg
- 1858×994
- 2016/12/12 13:56
- 166 KB
- exdipole07.jpeg
- 1370×1014
- 2016/12/15 10:58
- 206.2 KB
- expansion02.png
- 1920×1020
- 2021/11/09 11:28
- 1.1 MB
- expansion03.png
- 1920×1022
- 2021/11/09 11:28
- 1.1 MB
- expansion04.png
- 1920×1018
- 2021/11/09 11:28
- 1.1 MB
- expansion05.png
- 1920×1019
- 2021/11/09 11:28
- 1.1 MB
- expansion06.png
- 1920×1017
- 2021/11/09 11:39
- 1 MB
- expansion07.png
- 745×419
- 2021/11/09 11:28
- 49.7 KB
- expansion08.png
- 824×97
- 2021/11/09 11:55
- 9.8 KB
- expertmode.png
- 485×680
- 2018/01/15 11:42
- 95 KB
- f9d188af-9900-418c-b878-926260dcc5ea.png
- 981×652
- 2022/09/21 21:26
- 42.7 KB
- f29eba16-1482-400b-af3f-ec29ab82a787.png
- 890×381
- 2024/04/28 20:29
- 20.2 KB
- fbmc.zip
- 2019/12/18 22:16
- 27.1 MB
- fbmc202101.png
- 1418×738
- 2021/07/04 00:20
- 383.4 KB
- fbmc202102.png
- 1419×955
- 2021/07/04 00:20
- 530.5 KB
- fbmc202103.png
- 1420×953
- 2021/07/04 00:20
- 515.9 KB
- fbmc202104.png
- 1422×959
- 2021/07/04 00:20
- 515.6 KB
- fbmc202105.png
- 900×756
- 2021/07/04 00:20
- 275 KB
- fcf.rar
- 2020/12/01 21:10
- 66.6 MB
- fcf001.png
- 1275×936
- 2021/03/24 11:44
- 335.1 KB
- fcf01.jpg
- 695×391
- 2015/06/16 13:06
- 71.8 KB
- fcf02.jpg
- 1366×386
- 2015/06/16 13:06
- 109.5 KB
- fcf03.jpg
- 648×617
- 2015/06/16 13:09
- 96.2 KB
- fcf05.png
- 1425×726
- 2020/12/01 21:06
- 71 KB
- fcf06.png
- 1425×638
- 2020/12/01 21:06
- 74.6 KB
- fcf202301.png
- 1451×890
- 2023/04/18 21:43
- 107.3 KB
- fcf202302.png
- 1450×891
- 2023/04/18 21:43
- 117.4 KB
- fcf202303.png
- 1454×896
- 2023/04/18 21:43
- 132.6 KB
- fcf_pho.rar
- 2019/12/29 16:30
- 67 MB
- fde001.png
- 1351×750
- 2019/12/04 19:28
- 125.2 KB
- fde002.png
- 1349×752
- 2019/12/04 19:28
- 137.5 KB
- fde003.png
- 1348×752
- 2019/12/04 19:28
- 143.4 KB
- fde004.png
- 1348×755
- 2019/12/04 19:28
- 166 KB
- fde005.png
- 1347×757
- 2019/12/04 19:28
- 170.3 KB
- fde006.png
- 1155×797
- 2019/12/04 19:28
- 211.8 KB
- fde007.png
- 1158×804
- 2019/12/04 19:28
- 218.4 KB
- fde04.png
- 939×544
- 2017/04/13 22:34
- 112.2 KB
- fdeforsolvation01.png
- 725×210
- 2017/03/27 18:44
- 52.8 KB
- fdeforsolvation02.png
- 797×598
- 2017/03/27 18:31
- 111.3 KB
- fdeforsolvation03.png
- 844×814
- 2017/03/27 18:50
- 122.1 KB
- fdeforsolvation04.png
- 1376×770
- 2019/12/08 19:52
- 196.6 KB
- fdeforsolvation05.png
- 1376×702
- 2019/12/08 19:52
- 193.9 KB
- fdeforsolvation06.png
- 1375×704
- 2019/12/08 19:52
- 207.5 KB
- fdeforsolvation07.png
- 1377×704
- 2019/12/08 19:52
- 211.2 KB
- fdeforsolvation08.png
- 1371×759
- 2019/12/08 19:56
- 227.4 KB
- fdeforsolvation09.png
- 1376×702
- 2019/12/08 19:52
- 180.7 KB
- fdeforsolvation10.png
- 1371×703
- 2019/12/08 19:52
- 187.8 KB
- fdeforsolvation11.png
- 1232×881
- 2020/12/02 15:22
- 228.4 KB
- fdeforsolvation12.png
- 1374×713
- 2020/12/02 15:26
- 159 KB
- fdeforsolvation13.png
- 1373×665
- 2020/12/02 15:26
- 141.5 KB
- fdeforsolvation14.png
- 1376×668
- 2020/12/02 15:26
- 168.9 KB
- fdeforsolvation15.png
- 909×497
- 2017/03/27 20:10
- 101.8 KB
- fdeforsolvation16.png
- 1226×866
- 2020/12/02 15:26
- 209.4 KB
- fdeforsolvation17.png
- 593×815
- 2017/03/27 20:39
- 132.5 KB
- fdeforsolvation18.png
- 921×526
- 2017/03/27 20:52
- 133.5 KB
- ff01.png
- 997×673
- 2016/03/09 15:44
- 35.3 KB
- ff02.png
- 847×673
- 2016/03/09 15:47
- 48.1 KB
- ff03.png
- 996×670
- 2016/03/09 15:47
- 49 KB
- ffmpeg.rar
- 2023/11/13 10:04
- 20.8 MB
- ffmpeg003.png
- 575×682
- 2018/04/18 16:27
- 103.9 KB
- fig.png
- 516×574
- 2020/07/07 21:51
- 36.4 KB
- fixposition01.png
- 1422×834
- 2021/07/09 21:28
- 272.3 KB
- fixposition02.png
- 1421×832
- 2021/07/09 21:30
- 277.6 KB
- fixposition03.png
- 1425×835
- 2021/07/09 21:33
- 302.8 KB
- fixposition04.png
- 1416×827
- 2021/07/09 21:37
- 330 KB
- fixposition05.png
- 1424×837
- 2021/07/09 21:37
- 344 KB
- fixposition06.png
- 1420×837
- 2021/07/09 21:39
- 334.6 KB
- fixposition07.png
- 1420×838
- 2021/07/09 21:45
- 320.8 KB
- fixposition08.png
- 1784×754
- 2021/07/09 21:45
- 340.9 KB
- flashpoint01.png
- 1648×960
- 2020/11/27 21:11
- 255.5 KB
- flashpoint02.png
- 1640×956
- 2020/11/27 21:10
- 224 KB
- flashpoint03.png
- 657×369
- 2020/05/21 18:58
- 24.1 KB
- flashpoint04.png
- 680×351
- 2020/05/21 19:03
- 22.5 KB
- flashpoint05.png
- 678×314
- 2020/05/21 19:04
- 15.9 KB
- flashpoint06.png
- 667×316
- 2020/05/21 19:06
- 16.3 KB
- flashpoint07.png
- 658×369
- 2020/05/21 19:07
- 12.9 KB
- flashpoint08.png
- 646×364
- 2020/05/21 19:07
- 13.2 KB
- flist.png
- 503×1083
- 2019/07/01 10:48
- 148.5 KB
- floating01.png
- 431×425
- 2016/02/24 08:57
- 11.5 KB
- followcertainatoms01.png
- 1575×970
- 2021/05/08 09:40
- 565.3 KB
- followcertainatoms02.png
- 1880×775
- 2021/05/08 09:45
- 402.9 KB
- forceqe01.png
- 1572×985
- 2023/02/08 21:37
- 199.7 KB
- forceqe02.png
- 1572×989
- 2023/02/08 21:37
- 149.7 KB
- formic.jpg
- 415×291
- 2018/06/15 09:05
- 17.3 KB
- formicdimer.jpg
- 415×292
- 2018/06/15 09:04
- 22 KB
- fragment01.png
- 1363×695
- 2019/12/07 01:06
- 285.6 KB
- fragment02.png
- 1366×700
- 2019/12/07 01:06
- 266.3 KB
- fragment03.png
- 1369×702
- 2019/12/07 01:06
- 273.7 KB
- fragment04.png
- 1240×711
- 2019/12/07 01:14
- 42.3 KB
- fragment05.png
- 2000×1880
- 2016/05/05 17:57
- 228.7 KB
- fragment06.png
- 1243×1139
- 2019/12/07 01:21
- 220.7 KB
- fragmenttask02.png
- 1276×642
- 2016/07/14 16:56
- 117.3 KB
- fragment_analysis_eda.rar
- 2019/12/18 22:47
- 25.2 KB
- freeenergyofreaxff01.png
- 1370×698
- 2021/05/23 10:45
- 101.4 KB
- freeenergyofreaxff02.png
- 1376×698
- 2021/05/23 10:45
- 103.2 KB
- freeenergyofsolvation01.png
- 1382×749
- 2019/12/07 13:34
- 137.1 KB
- freeenergyofsolvation02.png
- 1379×754
- 2019/12/07 13:34
- 143.7 KB
- freeenergyofsolvation03.png
- 1406×2016
- 2016/10/24 23:23
- 486.3 KB
- freezespacegroup.jpg
- 486×396
- 2021/08/04 22:46
- 36.1 KB
- freq-iso01.jpg
- 1008×673
- 2015/07/14 16:57
- 73.8 KB
- freq-iso02.jpg
- 1009×678
- 2015/07/14 17:00
- 72.2 KB
- freq-iso03.jpg
- 1003×676
- 2015/07/14 17:04
- 86.4 KB
- freq-iso04.jpg
- 1031×675
- 2015/07/14 17:06
- 77 KB
- freq-iso05.jpg
- 1009×678
- 2015/07/14 17:15
- 86 KB
- freq-iso06.jpg
- 1014×709
- 2015/07/14 17:15
- 150.1 KB
- freq-iso07.jpg
- 1007×677
- 2015/07/14 17:29
- 93.2 KB
- freq-iso08.jpg
- 881×441
- 2015/07/14 17:29
- 60.5 KB
- freq-iso09.jpg
- 881×438
- 2015/07/14 17:29
- 56.9 KB
- frequencies01.png
- 1375×721
- 2019/12/05 12:09
- 105.3 KB
- frequencies02.png
- 1375×721
- 2019/12/05 12:09
- 85.5 KB
- frequencies03.png
- 1313×764
- 2019/12/05 12:07
- 83.2 KB
- frictioncoeff01.png
- 1601×953
- 2023/04/23 00:56
- 373.2 KB
- frictioncoeff02.png
- 1590×944
- 2023/04/23 00:56
- 409 KB
- frictioncoeff03.png
- 1602×946
- 2023/04/23 01:02
- 398.9 KB
- frictioncoeff04.png
- 1604×958
- 2023/04/23 01:02
- 381.2 KB
- frictioncoeff05.png
- 1597×943
- 2023/04/23 01:07
- 386.2 KB
- frictioncoeff06.png
- 1605×949
- 2023/04/23 01:08
- 443.6 KB
- frictioncoeff07.png
- 1602×950
- 2023/04/23 01:11
- 439.5 KB
- frictioncoeff08.png
- 1718×941
- 2023/04/23 01:18
- 133.4 KB
- fs_input.png
- 1053×725
- 2024/01/18 21:56
- 97.2 KB
- ftir01.png
- 1444×1045
- 2023/06/02 20:36
- 166.5 KB
- ftir02.png
- 1224×751
- 2023/06/02 19:53
- 87.3 KB
- ftir03.png
- 1445×1044
- 2023/06/02 19:56
- 145.2 KB
- ftir04.png
- 1447×1061
- 2023/06/02 20:20
- 200.5 KB
- ftir05.png
- 1725×941
- 2023/06/02 20:07
- 94.6 KB
- ftir06.png
- 1786×962
- 2023/06/02 20:29
- 101.3 KB
- ftir07.png
- 877×555
- 2023/06/13 12:58
- 37 KB
- fukui01.jpg
- 1380×749
- 2018/04/15 21:48
- 93.8 KB
- fukui01.png
- 1378×674
- 2019/12/08 01:22
- 122.4 KB
- fukui02.jpg
- 1382×751
- 2018/04/15 21:48
- 67.2 KB
- fukui02.png
- 1380×671
- 2019/12/08 01:22
- 131.4 KB
- fukui03.jpg
- 554×821
- 2018/04/15 21:54
- 69.1 KB
- fukui03.png
- 1386×674
- 2019/12/08 01:22
- 123.3 KB
- fukui04.jpg
- 1198×672
- 2018/04/15 22:38
- 57.2 KB
- fukui04.png
- 978×664
- 2019/12/08 01:22
- 111.7 KB
- fukui05.png
- 1142×765
- 2019/12/08 01:33
- 183.1 KB
- fukui06.png
- 1143×766
- 2019/12/08 01:33
- 181 KB
- gammascan.rar
- 2019/12/18 21:43
- 1.8 KB
- gasinionicliquid01.png
- 1057×706
- 2020/05/29 17:51
- 157.7 KB
- gasinionicliquid02.png
- 1646×1138
- 2020/05/29 18:03
- 180.7 KB
- gasinionicliquid03.png
- 1647×1133
- 2020/05/29 18:06
- 196 KB
- gasinionicliquid98.png
- 1656×887
- 2020/11/28 10:52
- 248.1 KB
- gasinionicliquid99.png
- 734×597
- 2020/11/28 10:46
- 76 KB
- gcmc01.png
- 1800×1152
- 2016/06/02 22:08
- 119.9 KB
- gcmc02.png
- 1800×1152
- 2016/06/02 22:19
- 381 KB
- gcmc03.png
- 308×374
- 2016/06/02 22:17
- 13.2 KB
- gcmc04.png
- 1774×994
- 2016/06/02 22:22
- 171.1 KB
- gcmc05.png
- 1774×994
- 2016/06/02 22:26
- 226 KB
- gcmc06.png
- 1774×994
- 2016/06/02 22:27
- 117.1 KB
- gcmc07.png
- 1832×1088
- 2016/06/02 22:29
- 151.4 KB
- gcmc08.png
- 1112×928
- 2016/06/02 22:57
- 76.6 KB
- gcmc09.png
- 1992×1294
- 2016/06/02 23:00
- 215.7 KB
- gcmc10.png
- 1992×1294
- 2016/06/02 23:00
- 200.4 KB
- gcmc201901.png
- 1429×937
- 2019/12/10 11:14
- 208.9 KB
- gcmc201902.png
- 1430×927
- 2019/12/10 11:14
- 130.7 KB
- gcmc201903.png
- 1457×771
- 2019/12/10 11:14
- 192 KB
- gcmc201904.png
- 1458×769
- 2019/12/10 11:14
- 155.3 KB
- gcmc201905.png
- 1455×771
- 2019/12/10 11:16
- 212.5 KB
- gcmc201906.png
- 1452×761
- 2019/12/10 11:21
- 184.3 KB
- gcmc201906_2.png
- 868×934
- 2019/12/10 16:01
- 184.4 KB
- gcmc201906_3.png
- 284×262
- 2019/12/10 16:05
- 11.1 KB
- gcmc201906_4.png
- 1443×833
- 2019/12/10 16:05
- 227.6 KB
- gcmc201907.png
- 893×969
- 2019/12/10 11:35
- 278.1 KB
- gcmc202001.png
- 1563×868
- 2020/11/26 18:55
- 166.5 KB
- gcmc202002.png
- 1425×746
- 2020/11/26 18:55
- 156.1 KB
- gcmc202003.png
- 1414×737
- 2020/11/26 18:55
- 170.3 KB
- gcmc202004.png
- 1406×726
- 2020/11/26 18:55
- 147.1 KB
- gcmc202005.png
- 1573×853
- 2020/11/26 19:43
- 355.9 KB
- gcmc202006.png
- 857×92
- 2020/11/26 18:55
- 9.4 KB
- gcmc202007.png
- 1562×765
- 2020/11/26 20:11
- 128.4 KB
- gcmc202008.png
- 1563×684
- 2020/11/26 19:49
- 254.9 KB
- gcmc202009.png
- 1793×765
- 2020/11/26 19:54
- 654.8 KB
- gcmc202010.png
- 936×115
- 2020/11/26 20:14
- 12.8 KB
- ge200o25_o2_alh3_fbmccvd.rar
- 2023/10/06 00:30
- 288.1 KB
- generalsettings.png
- 372×422
- 2024/01/23 19:39
- 23.8 KB
- generalsettings01.png
- 598×311
- 2024/01/23 19:55
- 35.5 KB
- generalsettings02.png
- 618×317
- 2024/01/23 20:01
- 28.8 KB
- generalsettings03.png
- 1521×901
- 2024/01/23 20:38
- 301.4 KB
- generalsettings04.png
- 1887×978
- 2024/01/23 20:59
- 240.1 KB
- generalsettings05.png
- 383×362
- 2024/01/23 21:09
- 26.8 KB
- generalsettings06.png
- 384×800
- 2024/01/23 21:26
- 59.4 KB
- geoconstaints.png
- 1419×822
- 2019/12/05 11:58
- 225.6 KB
- geometry-graph.png
- 1226×635
- 2024/02/05 12:25
- 59.6 KB
- geometry-setup.png
- 1061×660
- 2024/02/05 12:16
- 141.2 KB
- geoopt01.png
- 2400×1310
- 2016/05/16 18:33
- 109.9 KB
- geooptband01.png
- 2100×1350
- 2016/05/18 19:54
- 161 KB
- geooptband02.png
- 2100×1350
- 2016/05/18 19:54
- 156.2 KB
- geooptband03.png
- 1410×744
- 2020/11/30 14:36
- 173.2 KB
- geooptband04.png
- 1413×751
- 2020/11/30 14:36
- 156.2 KB
- geooptband05.png
- 1410×734
- 2020/11/30 14:36
- 190.6 KB
- geooptband06.png
- 1640×935
- 2020/11/30 14:36
- 238.5 KB
- geooptband07.png
- 2100×1350
- 2016/05/18 20:05
- 158.8 KB
- geooptband08.png
- 2400×1310
- 2016/05/18 20:11
- 187.7 KB
- geooptband09.png
- 1446×1806
- 2016/05/18 20:11
- 288.3 KB
- geooptofsinglet_rel01.png
- 900×485
- 2017/03/31 01:50
- 86.6 KB
- geooptofsinglet_rel02.png
- 900×485
- 2017/03/31 01:50
- 83.5 KB
- geooptofsinglet_rel03.png
- 900×485
- 2017/03/31 01:50
- 72.9 KB
- geooptofsinglet_rel04.png
- 900×485
- 2017/03/31 01:50
- 66.7 KB
- geooptoftri_rel01.png
- 1009×498
- 2017/03/31 01:14
- 92 KB
- geooptoftri_rel02.png
- 1009×498
- 2017/03/31 01:14
- 88.8 KB
- geooptoftri_rel03.png
- 1009×498
- 2017/03/31 01:14
- 73 KB
- geooptoftri_rel04.png
- 1009×498
- 2017/03/31 01:14
- 79.1 KB
- geooptunderpressure01.png
- 1416×888
- 2020/12/13 14:59
- 145.7 KB
- geooptunderpressure02.png
- 1417×893
- 2020/12/13 14:59
- 160 KB
- geooptunderpressure03.png
- 1411×882
- 2020/12/13 14:59
- 119.1 KB
- geooptunderpressure04.png
- 1792×932
- 2020/12/13 15:47
- 252.4 KB
- geoupdate01.png
- 652×226
- 2016/05/26 14:55
- 19.8 KB
- getbonds.rar
- 2022/09/23 22:06
- 388 B
- get_molecules_plams.rar
- 2021/08/04 23:06
- 2.2 KB
- gg.png
- 788×667
- 2014/09/06 09:30
- 152.3 KB
- gibbs-solution01.png
- 420×68
- 2016/01/02 21:51
- 5.9 KB
- gibbs-solution02.png
- 1323×712
- 2016/01/02 22:34
- 69.4 KB
- gibbs-solution03.png
- 680×95
- 2016/01/02 22:35
- 4 KB
- gibbs-solution04.png
- 1208×167
- 2016/01/02 22:51
- 25.3 KB
- gibbs01.png
- 480×252
- 2015/11/12 13:04
- 10.9 KB
- gibbs111.png
- 1544×502
- 2016/07/19 18:24
- 61 KB
- glasstmp01.png
- 1510×624
- 2021/11/09 09:55
- 726.9 KB
- glasstmp02.png
- 1920×1021
- 2021/11/09 10:06
- 1.1 MB
- glasstmp03.png
- 1920×1020
- 2021/11/09 10:12
- 1.1 MB
- glasstmp04.png
- 1920×1021
- 2021/11/09 10:12
- 1.1 MB
- glasstmp05.png
- 1920×1016
- 2021/11/09 10:14
- 1.1 MB
- glasstmp06.png
- 658×427
- 2021/11/09 10:29
- 30.2 KB
- glasstmp07.png
- 1920×1022
- 2021/11/09 10:33
- 853.1 KB
- glasstmp08.png
- 1139×412
- 2021/11/09 11:00
- 80.1 KB
- glasstmp09.png
- 811×399
- 2021/11/09 11:04
- 63.6 KB
- glycine01.jpg
- 1340×680
- 2019/12/05 18:58
- 80.9 KB
- glycine02.jpg
- 1340×681
- 2019/12/05 19:35
- 83.3 KB
- glycine03.jpg
- 1339×687
- 2019/12/05 19:35
- 74.8 KB
- glycine04.jpg
- 1342×685
- 2019/12/05 19:35
- 83.6 KB
- glycine05.jpg
- 1490×847
- 2019/12/05 19:35
- 170.4 KB
- glycine06.jpg
- 1187×755
- 2019/12/05 19:42
- 49.8 KB
- glycine07.jpg
- 1338×686
- 2019/12/05 19:54
- 88.8 KB
- gononconvergent01.png
- 1174×1164
- 2016/07/25 11:20
- 58.4 KB
- gradients01.png
- 1687×1004
- 2019/04/10 15:24
- 245.4 KB
- groundstateofatoms01.jpeg
- 1606×1386
- 2016/12/16 16:48
- 302.8 KB
- gsop01.png
- 949×370
- 2022/03/09 17:09
- 80.4 KB
- gsop02.png
- 506×75
- 2022/03/11 20:19
- 5.2 KB
- gsop03.png
- 467×60
- 2022/03/11 20:21
- 5.2 KB
- gui001.png
- 641×731
- 2018/06/04 16:23
- 42.5 KB
- gui002.png
- 763×703
- 2018/06/04 16:26
- 44.4 KB
- gui003.png
- 2106×1280
- 2018/06/04 16:37
- 322.3 KB
- gui004.png
- 1050×642
- 2018/06/04 16:37
- 188.7 KB
- gui005.png
- 1050×642
- 2018/06/04 16:37
- 85.1 KB
- gui006.png
- 402×177
- 2018/06/04 19:36
- 9.4 KB
- gwbse01.png
- 1060×365
- 2024/01/30 16:17
- 37.5 KB
- gwbse02.png
- 359×471
- 2024/01/30 16:24
- 24.8 KB
- gwbse03.png
- 446×257
- 2024/01/30 16:24
- 19.2 KB
- gwbse04.png
- 496×221
- 2024/01/30 16:24
- 18.7 KB
- gwbse05.png
- 483×98
- 2024/01/30 16:29
- 8.8 KB
- gwbse06.png
- 359×471
- 2024/01/30 17:10
- 24.3 KB
- gwbse07.png
- 441×443
- 2024/01/30 17:10
- 29.8 KB
- gwbse08.png
- 441×443
- 2024/04/15 14:39
- 29.9 KB
- gwbse09.png
- 483×98
- 2024/01/30 17:12
- 8.8 KB
- gwipea01.png
- 1000×573
- 2022/03/09 18:43
- 62.6 KB
- gwipea02.png
- 473×231
- 2022/03/09 18:43
- 18.5 KB
- gwipea03.png
- 489×323
- 2022/03/09 18:43
- 28.6 KB
- halfmatality01.png
- 537×520
- 2023/08/12 22:28
- 211.9 KB
- halfmatality02.png
- 1616×975
- 2023/08/12 23:45
- 234.3 KB
- halfmatality03.png
- 1613×980
- 2023/08/12 23:45
- 185.9 KB
- halfmatality04.png
- 1616×974
- 2023/08/12 23:45
- 213.2 KB
- halfmatality05.png
- 1617×975
- 2023/08/12 23:45
- 186 KB
- halfmatality06.png
- 1914×1152
- 2023/08/13 00:13
- 308.9 KB
- halfmatality07.png
- 1493×822
- 2023/08/13 00:13
- 161.1 KB
- halfmatality08.png
- 1496×821
- 2023/08/13 00:13
- 152.8 KB
- halfmatality09.png
- 1489×821
- 2023/08/13 00:27
- 271.1 KB
- hbd-hba.jpg
- 1030×631
- 2023/08/22 21:35
- 88.4 KB
- hbondanalysis01.png
- 1134×581
- 2015/09/08 22:37
- 283 KB
- hbondanalysis02.png
- 815×626
- 2015/09/08 22:40
- 17.1 KB
- hbondanalysis03.png
- 1010×488
- 2015/09/08 22:45
- 62.3 KB
- hbondanalysis04.png
- 584×356
- 2015/09/09 00:01
- 64.4 KB
- hbondanalysis05.png
- 996×525
- 2015/09/08 23:38
- 98.9 KB
- hbondanalysis06.png
- 998×527
- 2015/09/08 23:40
- 88.1 KB
- hbondanalysis07.png
- 996×526
- 2015/09/08 23:41
- 85.9 KB
- hbondanalysis08.png
- 880×612
- 2015/09/09 00:10
- 394.3 KB
- hbondanalysis09.png
- 849×672
- 2015/09/09 00:12
- 63.3 KB
- hbondanalysis10.png
- 764×597
- 2015/09/09 00:25
- 210.3 KB
- hbondanalysis11.png
- 888×615
- 2015/09/09 00:43
- 347.5 KB
- hbondanalysis12.png
- 878×596
- 2015/09/09 00:43
- 320.7 KB
- hbondanalysis13.png
- 629×268
- 2015/09/09 00:52
- 91.1 KB
- hbondanalysis14.png
- 889×556
- 2015/09/09 00:53
- 215 KB
- hbondanalysis15.png
- 869×1672
- 2015/09/09 00:56
- 160 KB
- hbondanalysis16.png
- 994×671
- 2015/09/08 23:30
- 64.1 KB
- hbondanalysis17.png
- 999×671
- 2015/09/08 23:34
- 60.8 KB
- hbondanalysis19.png
- 899×661
- 2015/09/09 00:05
- 18.6 KB
- hbondanalysis20.png
- 803×580
- 2015/09/09 00:06
- 36.4 KB
- hbondanalysis21.png
- 705×436
- 2015/09/09 00:08
- 45.4 KB
- hbondanalysis22.png
- 774×715
- 2015/09/09 00:14
- 48.2 KB
- hbondanalysis23.png
- 704×667
- 2015/09/09 00:16
- 18 KB
- hbondanalysis24.png
- 778×655
- 2015/09/09 00:20
- 34.2 KB
- hbondanalysis25.png
- 1003×698
- 2015/09/09 00:34
- 50.5 KB
- hbondanalysis26.png
- 995×671
- 2015/09/09 00:35
- 84.7 KB
- hbondanalysis27.png
- 994×672
- 2015/09/09 00:37
- 80.4 KB
- hbondanalysis28.png
- 995×673
- 2015/09/09 00:40
- 85.2 KB
- hbondanalysis29.png
- 940×505
- 2015/09/09 00:58
- 62.5 KB
- hbondanalysis30.png
- 940×505
- 2015/09/09 00:58
- 53.7 KB
- hbondanalysis31.png
- 940×509
- 2015/09/09 00:58
- 52.9 KB
- hbondanalysis32.png
- 939×510
- 2015/09/09 01:01
- 54.8 KB
- hbondanalysis33.png
- 897×621
- 2015/09/09 01:02
- 14.3 KB
- hbondanalysis34.png
- 1002×704
- 2015/09/09 01:02
- 43.8 KB
- hbondanalysis35.png
- 962×787
- 2015/09/09 01:05
- 74.2 KB
- hbondanalysis36.png
- 394×212
- 2015/09/09 00:48
- 5.6 KB
- hbondanalysis37.png
- 743×580
- 2015/09/08 23:36
- 208.2 KB
- hbondanalysis38.png
- 744×574
- 2015/09/08 23:50
- 244.3 KB
- hbondanalysis39.png
- 734×623
- 2015/09/08 23:55
- 93.5 KB
- hbondanalysis_formula01.png
- 243×42
- 2015/09/08 22:59
- 1.7 KB
- hbondanalysis_formula02.png
- 338×42
- 2015/09/08 23:01
- 2.8 KB
- hbondanalysis_formula03.png
- 154×26
- 2015/09/08 23:03
- 1.1 KB
- hbondanalysis_formula04.png
- 49×25
- 2015/09/08 23:04
- 794 B
- hbondanalysis_formula05.png
- 44×26
- 2015/09/08 23:04
- 719 B
- hbondanalysis_formula06.png
- 170×26
- 2015/09/08 23:05
- 1.3 KB
- hbondanalysis_formula07.png
- 48×25
- 2015/09/08 23:07
- 827 B
- hbondanalysis_formula08.png
- 84×25
- 2015/09/08 23:07
- 886 B
- hbondanalysis_formula09.png
- 132×28
- 2015/09/08 23:08
- 1.4 KB
- hbondanalysis_formula10.png
- 65×28
- 2015/09/08 23:09
- 899 B
- hbondanalysis_formula11.png
- 57×25
- 2015/09/08 23:10
- 569 B
- hbondanalysis_formula12.png
- 18×22
- 2015/09/08 23:11
- 403 B
- hbondanalysis_formula13.png
- 141×26
- 2015/09/08 23:12
- 1.3 KB
- hbondanalysis_formula14.png
- 53×26
- 2015/09/08 23:13
- 778 B
- hbondanalysis_formula15.png
- 50×26
- 2015/09/08 23:14
- 804 B
- hbondanalysis_formula16.png
- 136×26
- 2015/09/08 23:15
- 1.1 KB
- hbondanalysis_formula17.png
- 56×26
- 2015/09/08 23:16
- 918 B
- hbondanalysis_formula18.png
- 44×26
- 2015/09/08 23:16
- 723 B
- hbondanalysis_formula19.png
- 374×42
- 2015/09/08 23:18
- 3.1 KB
- hbondanalysis_formula20.png
- 344×42
- 2015/09/08 23:18
- 2.9 KB
- hbondanalysis_formula21.png
- 34×25
- 2015/09/08 23:20
- 646 B
- hbondanalysis_formula22.png
- 56×26
- 2015/09/08 23:21
- 917 B
- hbondanalysis_formula23.png
- 44×26
- 2015/09/08 23:21
- 725 B
- hbondanalysis_formula24.png
- 381×42
- 2015/09/08 23:23
- 3.2 KB
- hbondanalysis_formula25.png
- 344×42
- 2015/09/08 23:23
- 2.9 KB
- hbondanalysis_formula26.png
- 24×26
- 2015/09/08 23:25
- 404 B
- hbondanalysis_formula27.png
- 36×26
- 2015/09/08 23:26
- 627 B
- hcn01.jpg
- 1042×709
- 2014/11/29 02:03
- 94.3 KB
- hcn02.jpg
- 480×314
- 2014/11/29 02:05
- 31 KB
- hcn03.jpg
- 1048×591
- 2014/11/29 02:16
- 99.6 KB
- hcn04.jpg
- 1001×512
- 2014/11/29 02:23
- 73.8 KB
- hcn05.jpg
- 1009×580
- 2014/11/29 02:26
- 83 KB
- hcn06.jpg
- 475×489
- 2014/11/29 02:26
- 41 KB
- heatconduct01.png
- 999×762
- 2022/03/07 19:01
- 155.4 KB
- heatconduct02.png
- 997×614
- 2022/03/07 19:01
- 227.6 KB
- heatconduct03.png
- 1000×616
- 2022/03/07 19:01
- 226.6 KB
- heatconduct04.png
- 1000×614
- 2022/03/07 19:01
- 253.2 KB
- heatconduct05.png
- 995×613
- 2022/03/07 19:01
- 227.7 KB
- heatconduct06.png
- 992×753
- 2022/03/06 13:10
- 46.8 KB
- heatconduct07.png
- 999×605
- 2022/03/07 19:01
- 229.7 KB
- heatconduct08.png
- 669×498
- 2022/03/15 13:55
- 25.2 KB
- heatconduct09.png
- 737×538
- 2022/03/06 13:49
- 34.2 KB
- heatconduct2001.png
- 1611×893
- 2023/10/04 18:43
- 250.1 KB
- heatconduct2002.png
- 1609×890
- 2023/10/04 18:43
- 273 KB
- heatconduct2003.png
- 1609×894
- 2023/10/04 18:43
- 287.8 KB
- heatconduct2004.png
- 1613×891
- 2023/10/04 18:56
- 309.2 KB
- heatconduct2005.png
- 1459×968
- 2023/10/04 18:56
- 203.6 KB
- heatconduct2006.png
- 1233×642
- 2023/10/04 18:56
- 67.2 KB
- heatconduct2007.png
- 1456×972
- 2023/10/04 18:56
- 227.9 KB
- heatconduct2008.png
- 1604×895
- 2023/10/04 18:56
- 330.4 KB
- heatconduct2009.png
- 774×445
- 2023/10/04 18:56
- 120.7 KB
- hex_conf.zip
- 2023/04/14 20:36
- 698.1 KB
- hf01.png
- 1431×790
- 2019/12/10 13:42
- 123.5 KB
- hf03.png
- 1431×806
- 2020/12/05 17:26
- 142.7 KB
- hf04.png
- 1429×814
- 2020/12/05 17:26
- 156.9 KB
- hf05.png
- 1425×803
- 2020/12/05 17:26
- 164.4 KB
- hf06.png
- 1429×896
- 2020/12/05 17:26
- 255.6 KB
- hf07.png
- 1429×896
- 2020/12/05 17:26
- 173.1 KB
- hf08.png
- 1430×893
- 2020/11/25 18:17
- 251.9 KB
- hf09.png
- 912×983
- 2019/12/10 14:22
- 168.2 KB
- hf10.png
- 1938×738
- 2019/12/10 14:22
- 204.4 KB
- hf11.png
- 1202×651
- 2016/03/19 22:08
- 44.1 KB
- hf12.png
- 1010×517
- 2016/03/19 22:10
- 39 KB
- hf13.png
- 1011×626
- 2016/03/19 22:16
- 240.9 KB
- hf14.png
- 609×384
- 2016/03/19 22:15
- 15.4 KB
- hf15.png
- 610×387
- 2016/03/19 22:17
- 12.8 KB
- hf16.png
- 1009×506
- 2016/03/19 22:18
- 66.1 KB
- highdensity01.png
- 1056×679
- 2022/06/03 11:31
- 50.3 KB
- highdensity02.png
- 1059×686
- 2022/06/03 11:31
- 41.6 KB
- highdensity03.png
- 1055×691
- 2022/06/03 11:31
- 45 KB
- highdensity04.png
- 1058×688
- 2022/06/03 11:31
- 42.5 KB
- highdensity05.png
- 1065×690
- 2022/06/03 11:43
- 109.9 KB
- highdensity06.png
- 1188×639
- 2022/06/03 12:08
- 40.5 KB
- highdensity07.png
- 1190×644
- 2022/06/03 12:10
- 37.8 KB
- homo-lumo01.jpg
- 455×291
- 2014/11/21 20:43
- 57.7 KB
- homo-lumo02.jpg
- 411×485
- 2014/11/21 20:47
- 38.6 KB
- homo-lumo03.jpg
- 1387×758
- 2019/12/04 20:30
- 86.6 KB
- homo-lumo04.jpg
- 1734×777
- 2019/12/04 20:34
- 159.8 KB
- homo-lumo05.jpg
- 809×119
- 2014/11/21 21:01
- 24.7 KB
- homo-lumo06.jpg
- 804×110
- 2014/11/21 21:03
- 22 KB
- homo-lumo07.jpg
- 1228×639
- 2019/12/04 20:37
- 89.8 KB
- homo-lumo08.jpg
- 1188×932
- 2019/12/04 20:43
- 139.8 KB
- homo-lumo09.jpg
- 1187×931
- 2019/12/04 20:48
- 144.8 KB
- homo-lumo10.jpg
- 280×414
- 2014/11/21 21:20
- 31.9 KB
- homo-lumo11.jpg
- 544×270
- 2014/11/21 21:21
- 52.7 KB
- homo-lumo12.jpg
- 543×457
- 2014/11/21 21:22
- 116.5 KB
- homo-lumo13.jpg
- 1186×928
- 2019/12/04 20:52
- 135.8 KB
- homo-lumo14.jpg
- 639×528
- 2019/12/04 20:52
- 42.5 KB
- homo-lumo15.jpg
- 722×720
- 2019/12/04 20:52
- 67.6 KB
- homo-lumo18.jpg
- 723×584
- 2019/12/04 20:52
- 63 KB
- hubbardu01.jpg
- 611×437
- 2023/03/20 23:44
- 43.8 KB
- hubbardu02.jpg
- 771×433
- 2023/03/20 23:44
- 67.9 KB
- hubbardu03.jpg
- 623×467
- 2023/03/20 23:44
- 62 KB
- hybirduv01.png
- 1373×803
- 2021/02/06 11:49
- 209.2 KB
- hybirduv02.png
- 1370×772
- 2021/02/06 11:50
- 169.9 KB
- hybirduv03.png
- 1363×803
- 2021/02/06 11:57
- 193.1 KB
- hybirduv04.png
- 1367×800
- 2021/02/06 11:57
- 228.9 KB
- hybirduv05.png
- 1372×798
- 2021/02/06 11:57
- 182.5 KB
- hyperpol001.png
- 1377×683
- 2020/12/01 14:55
- 103.3 KB
- hyperpol002.png
- 1373×702
- 2020/12/01 14:55
- 105.4 KB
- hyperpol003.png
- 890×472
- 2020/02/17 17:17
- 150.4 KB
- hyperpol004.jpg
- 864×336
- 2020/02/17 17:46
- 59.7 KB
- hyperpolar.png
- 622×211
- 2020/01/04 12:37
- 12.3 KB
- hyperpolarizability01.png
- 1363×723
- 2019/12/07 16:33
- 124 KB
- hyperpolarizability02.png
- 1361×728
- 2019/12/07 16:33
- 123.1 KB
- hyperpolarizability03.png
- 1010×1124
- 2016/08/05 20:43
- 86.7 KB
- hyperpolarizability04.png
- 1118×1812
- 2016/08/05 20:43
- 198.4 KB
- ilforliquidsolute.rar
- 2023/08/08 14:14
- 1.1 MB
- image_08-24-09-21-55_.png
- 586×156
- 2023/08/24 09:23
- 24.6 KB
- img53-1.gif
- 617×249
- 2020/04/16 19:05
- 4.3 KB
- incorrectnumberofatoms.png
- 491×215
- 2018/01/13 00:15
- 19.3 KB
- inductiondipole01.png
- 1359×690
- 2019/12/07 16:18
- 116.7 KB
- inductiondipole02.png
- 814×388
- 2016/07/07 10:15
- 29.5 KB
- inductiondipole03.png
- 826×488
- 2016/07/07 10:16
- 35 KB
- innerelectron01.jpeg
- 1364×747
- 2019/12/08 18:36
- 78.8 KB
- innerelectron02.jpeg
- 1346×926
- 2019/12/08 18:36
- 84.9 KB
- innerelectron03.jpeg
- 1359×744
- 2019/12/08 18:36
- 95.3 KB
- innerelectron04.jpeg
- 1362×740
- 2019/12/08 18:36
- 82.3 KB
- innerelectron05.jpeg
- 1044×808
- 2019/12/08 18:36
- 128.3 KB
- input01.png
- 423×554
- 2016/05/04 19:49
- 33.5 KB
- installedlicense.png
- 1062×622
- 2020/11/14 10:48
- 48.2 KB
- ionic01.png
- 2152×854
- 2016/04/30 11:26
- 101.5 KB
- ionic02.png
- 1234×852
- 2016/04/30 11:26
- 112.3 KB
- ionic03.png
- 1234×852
- 2016/04/30 11:26
- 92.9 KB
- ionic04.png
- 2152×854
- 2016/04/30 11:26
- 143.4 KB
- ionic05.png
- 854×90
- 2016/04/30 11:26
- 20.6 KB
- ionic06.png
- 2152×854
- 2016/04/30 11:34
- 109.6 KB
- ionic07.png
- 2152×854
- 2016/04/30 11:37
- 133.1 KB
- ionic08.png
- 2144×1150
- 2016/04/30 11:40
- 108.8 KB
- ionic09.png
- 557×139
- 2016/04/30 11:45
- 16.8 KB
- ipw_oz_wp9ajf_y5_04-28-10-34-48_.png
- 885×77
- 2020/04/28 10:43
- 10.5 KB
- iqa01.png
- 1492×1002
- 2023/11/27 19:43
- 198 KB
- iqa02.png
- 1493×998
- 2023/11/27 19:43
- 179.4 KB
- iqa03.png
- 1489×1002
- 2023/11/27 19:43
- 202.1 KB
- iqa04.png
- 1490×991
- 2023/11/27 20:04
- 168.3 KB
- iqa05.png
- 1485×991
- 2023/11/27 20:04
- 156.9 KB
- iqa06.png
- 1489×1003
- 2023/11/27 20:04
- 168.1 KB
- irc01.png
- 1397×718
- 2019/12/04 19:37
- 123.3 KB
- irc02.png
- 1401×717
- 2019/12/04 19:37
- 128.6 KB
- irc03.png
- 1298×723
- 2019/12/04 19:37
- 102.8 KB
- irc04.png
- 1404×720
- 2019/12/04 19:37
- 138.4 KB
- iring01.png
- 1367×647
- 2020/12/01 17:59
- 152.8 KB
- iring02.png
- 1369×644
- 2020/12/01 17:59
- 149.6 KB
- iring03.png
- 1362×646
- 2020/12/01 17:59
- 147.2 KB
- iron-anti-totaldos.png
- 1280×755
- 2024/02/05 11:35
- 120.6 KB
- iron-anti-view-deformation.png
- 942×594
- 2024/02/05 11:51
- 588.5 KB
- iron-anti-view-spin.png
- 1000×605
- 2024/02/05 11:39
- 103.4 KB
- iron-anti-view-spinpolarization.png
- 1000×605
- 2024/02/05 11:41
- 176.7 KB
- iron-antiferro-bandstructure.png
- 1280×755
- 2024/02/05 11:24
- 82 KB
- iron-antiferromagnetic.png
- 483×216
- 2024/02/05 10:41
- 17.6 KB
- iron-ferro-bandstructure.png
- 1280×755
- 2024/02/05 11:14
- 105.3 KB
- iron-ferro-lowdin.png
- 1174×930
- 2024/02/05 11:04
- 207.6 KB
- iron-ferromagnetic.png
- 481×220
- 2024/02/05 10:51
- 17.5 KB
- iron-kfbrowser-spins.png
- 1050×763
- 2024/02/05 11:00
- 65 KB
- iron-regions.png
- 1050×655
- 2024/02/05 10:38
- 118.9 KB
- iron-setup.png
- 481×563
- 2024/02/05 10:48
- 38.5 KB
- irrepgroup.png
- 473×445
- 2023/03/03 17:45
- 48.3 KB
- irrepgroup01.png
- 1412×950
- 2023/03/03 18:23
- 121.9 KB
- irrepgroup02.png
- 1413×777
- 2023/03/03 17:56
- 103.3 KB
- irrepgroup03.png
- 1283×2094
- 2023/03/03 18:01
- 261.1 KB
- irrepgroup04.png
- 1408×942
- 2023/03/03 18:14
- 147 KB
- isotope01.png
- 643×405
- 2015/08/19 08:34
- 19.9 KB
- isotopinadf01.jpg
- 1352×784
- 2019/12/04 18:46
- 78.8 KB
- isotopinadf01.png
- 1347×783
- 2019/12/04 18:34
- 105.8 KB
- isotopinadf02.jpg
- 1353×784
- 2019/12/04 18:46
- 75.6 KB
- isotopinadf03.jpg
- 1348×786
- 2019/12/04 18:46
- 57.2 KB
- isotopinadf04.jpg
- 1349×783
- 2019/12/04 18:46
- 84.2 KB
- isotopinadf05.jpg
- 1561×793
- 2019/12/04 18:46
- 121.8 KB
- isotopinadf06.jpg
- 1088×830
- 2019/12/04 18:46
- 149.6 KB
- isotopinadf07.jpg
- 1590×794
- 2019/12/04 18:46
- 119.4 KB
- isotopinadf08.jpg
- 1427×761
- 2019/12/04 18:46
- 90.6 KB
- isotopnalmal01.png
- 1916×1104
- 2016/08/25 00:46
- 243.9 KB
- isotopnalmal02.png
- 1244×854
- 2016/08/25 00:46
- 97 KB
- isotopnalmal03.png
- 1244×854
- 2016/08/25 00:54
- 100.3 KB
- isotopnalmal04.png
- 1158×872
- 2016/08/25 00:58
- 258.6 KB
- isotopnalmal05.png
- 1156×880
- 2016/08/25 00:58
- 258.5 KB
- isotopnalmal06.png
- 1150×870
- 2016/08/25 00:58
- 257 KB
- jjc01.png
- 1007×676
- 2015/07/14 21:28
- 55.3 KB
- jjc02.png
- 855×695
- 2015/07/14 21:14
- 81.3 KB
- jjc03.png
- 1005×548
- 2015/07/14 21:29
- 46 KB
- jjc04.png
- 1009×549
- 2015/07/14 21:31
- 44.2 KB
- jjc05.png
- 1010×549
- 2015/07/14 21:34
- 45.3 KB
- jjc06.png
- 884×449
- 2015/07/14 21:34
- 15.2 KB
- jjc07.png
- 948×445
- 2015/07/14 21:58
- 30.1 KB
- jjc08.png
- 1366×768
- 2015/07/14 21:58
- 74.2 KB
- jjc09.png
- 913×625
- 2015/07/14 21:58
- 26.4 KB
- jjc10.png
- 631×436
- 2015/07/14 21:58
- 45.6 KB
- jjc11.png
- 699×469
- 2015/07/14 21:58
- 53.3 KB
- jjc12.png
- 881×553
- 2015/07/14 22:14
- 21.2 KB
- jjc13.png
- 2060×1316
- 2015/07/14 22:15
- 154.4 KB
- jjc14.png
- 2060×1316
- 2015/07/14 22:15
- 189.5 KB
- jjc15.png
- 496×457
- 2015/07/14 22:17
- 5.6 KB
- jjc16.png
- 520×457
- 2015/07/14 22:17
- 4.3 KB
- laplacian01.jpeg
- 1162×643
- 2020/12/01 17:29
- 85.8 KB
- laplacian01.png
- 1872×996
- 2016/10/24 20:58
- 515.9 KB
- laplacian03.jpeg
- 1157×647
- 2020/12/01 17:29
- 94.5 KB
- ldos.png
- 993×605
- 2020/12/15 20:37
- 186.1 KB
- lei-co2-polymer-1.png
- 1024×411
- 2021/04/15 23:32
- 123.3 KB
- levelline01.png
- 1796×1742
- 2018/01/10 21:21
- 391.8 KB
- lfdft_pcwleds.mp4
- 2019/12/18 21:53
- 153.3 MB
- li-battery_discharge_voltage_profiles_simulated_with_reaxff_amsterdam_modeling_suite.mp4
- 2021/10/11 11:57
- 54.7 MB
- libprimme.jpg
- 837×33
- 2014/12/25 14:54
- 14.3 KB
- lifetime.jpg
- 478×427
- 2014/12/17 13:00
- 103.7 KB
- lifetime02.jpg
- 582×566
- 2014/12/17 15:14
- 109 KB
- lineardependent.png
- 549×285
- 2021/01/05 11:45
- 22.3 KB
- linearegression01.jpg
- 1533×833
- 2023/10/04 17:47
- 132.9 KB
- linearegression02.jpg
- 1235×647
- 2023/10/04 17:49
- 58.8 KB
- linearegression03.jpg
- 1233×640
- 2023/10/04 17:50
- 69.2 KB
- linearegression04.jpg
- 1533×834
- 2023/10/04 17:53
- 144.5 KB
- linearegression05.jpg
- 1232×646
- 2023/10/04 17:52
- 72.7 KB
- linearegression06.jpg
- 1533×833
- 2023/10/04 17:53
- 151.8 KB
- liq-gas01.png
- 1569×876
- 2021/08/19 13:33
- 120.1 KB
- liq-gas02.png
- 1575×884
- 2021/08/19 13:45
- 356.2 KB
- liq-gas03.png
- 1582×880
- 2021/08/19 13:44
- 357.4 KB
- liq-gas04.png
- 1576×884
- 2021/08/19 13:44
- 208.7 KB
- liq-gas05.png
- 1576×881
- 2021/08/19 13:44
- 225.2 KB
- liqvacum01.png
- 1654×924
- 2024/04/19 23:24
- 405.3 KB
- liqvacum02.png
- 1639×926
- 2024/04/19 23:26
- 290.7 KB
- liqvacum03.png
- 1670×926
- 2024/04/19 23:27
- 328.7 KB
- liqvacum04.png
- 1661×918
- 2024/04/19 23:33
- 245 KB
- liqvacum05.png
- 1660×929
- 2024/04/19 23:33
- 411.4 KB
- liqvacum06.png
- 1664×921
- 2024/04/19 23:39
- 243.9 KB
- liqvacum07.png
- 1661×919
- 2024/04/19 23:39
- 238.5 KB
- lisdischarge.zip
- 2019/12/18 22:20
- 32.6 MB
- li_potential.rar
- 2023/05/16 17:37
- 2.7 KB
- logfile01.png
- 215×61
- 2016/03/01 11:23
- 1.2 KB
- logfile02.png
- 388×72
- 2016/03/01 11:23
- 1.9 KB
- loginlinux01.png
- 884×714
- 2016/12/13 17:42
- 481 KB
- loginlinux02.jpeg
- 598×188
- 2016/12/13 17:47
- 39.8 KB
- logp01.png
- 482×469
- 2016/05/04 20:10
- 28 KB
- logp02.png
- 316×113
- 2016/05/04 20:20
- 12.3 KB
- lookupocc01.png
- 1528×884
- 2021/05/08 18:12
- 87.8 KB
- lt001.jpeg
- 1382×675
- 2019/12/08 10:47
- 80.8 KB
- lt002.jpeg
- 1382×677
- 2019/12/08 10:47
- 96.3 KB
- lt003.jpeg
- 1830×1000
- 2017/01/13 14:58
- 158.8 KB
- lt004.jpeg
- 1475×706
- 2019/12/08 10:47
- 77 KB
- lt005.jpeg
- 1477×705
- 2019/12/08 10:47
- 89.8 KB
- lt006.jpeg
- 1473×707
- 2019/12/08 10:47
- 84.3 KB
- lt007.jpeg
- 1379×684
- 2019/12/08 10:51
- 84 KB
- m3gnet001.png
- 1039×315
- 2023/10/04 17:31
- 44.6 KB
- m3gnet002.png
- 594×364
- 2023/10/04 17:31
- 18.2 KB
- m3gnet003.png
- 404×290
- 2023/10/04 17:31
- 13.3 KB
- m3gnet004.png
- 1061×502
- 2023/10/04 17:31
- 66.8 KB
- m3gnet005.png
- 255×329
- 2023/10/04 17:31
- 22 KB
- m3gnet999.png
- 640×270
- 2023/10/04 17:31
- 14.9 KB
- magneticbulk01.png
- 1354×970
- 2023/07/23 17:25
- 230.3 KB
- magneticbulk02.png
- 1359×968
- 2023/07/23 17:25
- 222 KB
- magneticbulk03.png
- 1358×969
- 2023/07/23 17:25
- 215.2 KB
- magneticbulk04.png
- 1357×969
- 2023/07/23 17:25
- 196.7 KB
- mass01.png
- 3360×1960
- 2016/04/28 17:18
- 560.4 KB
- mass02.png
- 3356×1964
- 2016/04/28 17:18
- 515 KB
- mass03.png
- 3358×1960
- 2016/04/28 17:18
- 569.9 KB
- mass04.png
- 776×1282
- 2016/04/28 17:17
- 74.5 KB
- mass05.png
- 2100×1350
- 2016/04/28 17:38
- 176.1 KB
- mavrommatiskourtis_inputfiles.zip
- 2020/07/07 22:18
- 15.6 KB
- mbh01.png
- 1363×658
- 2019/12/08 10:59
- 138.9 KB
- mbh02.png
- 1365×665
- 2019/12/08 10:59
- 166.7 KB
- mbh03.png
- 1362×659
- 2019/12/08 10:59
- 161.5 KB
- mbh04.png
- 1360×656
- 2019/12/08 10:59
- 147 KB
- mbh05.png
- 1051×984
- 2019/12/08 11:08
- 116.5 KB
- mcff.pdf
- 2019/12/18 21:18
- 3.7 MB
- mcff.zip
- 2019/12/18 21:14
- 4.8 MB
- mcff01.png
- 912×538
- 2017/06/08 16:05
- 114.7 KB
- mcff02.png
- 912×538
- 2017/06/08 16:05
- 122.5 KB
- mcff03.png
- 912×538
- 2017/06/08 16:05
- 119.9 KB
- mcff04.png
- 1012×232
- 2017/06/08 16:30
- 132 KB
- mcff_crystal.zip
- 2019/12/18 21:14
- 198.6 KB
- mdmc01.png
- 934×364
- 2016/07/12 17:13
- 635.2 KB
- measure001.png
- 1528×1018
- 2023/10/19 21:50
- 261.7 KB
- measure002.png
- 1507×1003
- 2023/10/19 21:53
- 295.5 KB
- measure003.png
- 1525×1013
- 2023/10/19 21:54
- 329.3 KB
- measure004.png
- 1527×1021
- 2023/10/19 21:56
- 438.2 KB
- measure005.png
- 1525×1014
- 2023/10/19 21:58
- 460.6 KB
- mechanism.png
- 720×405
- 2024/02/05 14:11
- 35.2 KB
- mergefiles.png
- 1466×1142
- 2019/12/12 15:39
- 95.7 KB
- mixsystem00.png
- 1402×825
- 2019/12/10 12:02
- 141.6 KB
- mixsystem00_2.png
- 1397×824
- 2019/12/10 12:02
- 126.1 KB
- mixsystem00_3.png
- 1394×820
- 2019/12/10 12:02
- 203.4 KB
- mixsystem01.png
- 1393×821
- 2019/12/10 12:02
- 180.5 KB
- mixsystem01_2.png
- 1395×827
- 2019/12/10 12:02
- 230.9 KB
- mixsystem02.png
- 1395×822
- 2019/12/10 12:02
- 235.3 KB
- mixsystem03.png
- 900×974
- 2019/12/10 12:07
- 232.7 KB
- mkmcxxuniti01.jpg
- 1356×304
- 2023/12/04 22:26
- 116.2 KB
- mlcrs01.png
- 1485×828
- 2023/09/01 18:06
- 178.8 KB
- mlcrs02.png
- 1488×818
- 2023/09/01 18:06
- 198.6 KB
- mlcrs03.png
- 1485×825
- 2023/09/01 18:06
- 192.6 KB
- mlcrs04.png
- 2480×2058
- 2023/09/01 18:12
- 579.9 KB
- mlcrs05.png
- 2521×965
- 2023/09/01 18:12
- 356.1 KB
- mobility01.jpg
- 751×498
- 2014/12/16 16:42
- 39.1 KB
- mobility02.jpg
- 483×268
- 2014/12/16 16:47
- 31.2 KB
- mobility03.jpg
- 487×426
- 2014/12/16 16:59
- 37.2 KB
- mobility04.jpg
- 640×196
- 2014/12/16 17:03
- 45.9 KB
- mobility05.jpg
- 550×102
- 2014/12/16 17:03
- 21.5 KB
- mobility06.jpg
- 367×39
- 2014/12/16 17:14
- 5.5 KB
- mobility07.jpg
- 620×90
- 2014/12/17 11:05
- 18.7 KB
- modifycolorofinfo01.png
- 978×620
- 2017/10/23 13:22
- 188.3 KB
- modifycolorofinfo02.png
- 224×410
- 2017/10/23 13:24
- 55.8 KB
- modifyocc01.png
- 1364×819
- 2021/05/08 18:25
- 131.1 KB
- modifyocc02.png
- 1363×816
- 2021/05/08 18:25
- 112.5 KB
- modifyocc03.png
- 1362×814
- 2021/05/08 18:28
- 107.9 KB
- modifyocc04.png
- 1344×917
- 2021/05/08 18:32
- 86 KB
- moleculargun01.jpg
- 1011×678
- 2015/05/27 19:40
- 126.2 KB
- moleculargun02.jpg
- 1004×676
- 2015/05/27 19:40
- 101.7 KB
- moleculargun03.jpg
- 1010×677
- 2015/05/27 19:41
- 77.6 KB
- moleculargun04.jpg
- 1012×678
- 2015/05/27 19:43
- 118.4 KB
- moleculargun05.jpg
- 1012×678
- 2015/05/27 20:00
- 87 KB
- moleculargun06.jpg
- 1009×679
- 2015/05/27 20:01
- 126.6 KB
- moleculargun07.jpg
- 1010×679
- 2015/05/27 20:05
- 123.7 KB
- moleculargun08.jpg
- 1011×679
- 2015/05/27 20:03
- 85.1 KB
- moleculargun1_01.png
- 1432×844
- 2019/12/10 14:30
- 159.9 KB
- moleculargun1_02.png
- 314×497
- 2019/12/10 14:30
- 28.3 KB
- moleculargun1_03.png
- 1427×840
- 2019/12/10 14:30
- 191.4 KB
- moleculargun1_04.png
- 1432×835
- 2019/12/10 14:31
- 178 KB
- moleculargun1_05.png
- 1430×831
- 2019/12/10 14:30
- 142.5 KB
- moleculargun1_06.png
- 1430×837
- 2019/12/10 14:33
- 180.7 KB
- moleculargun1_07.png
- 1572×999
- 2019/12/10 15:10
- 187.7 KB
- moleculargun1_08.png
- 1571×997
- 2019/12/10 15:10
- 213.7 KB
- moleculargun1_09.png
- 894×966
- 2019/12/10 15:17
- 98.6 KB
- moleculargun1_10.png
- 900×980
- 2019/12/10 15:17
- 83 KB
- moleculargun1_11.png
- 896×974
- 2019/12/10 15:17
- 106.9 KB
- moleculargun1_12.png
- 600×622
- 2017/03/06 15:36
- 103.4 KB
- moleculargun10.jpg
- 1009×680
- 2015/05/27 20:09
- 134 KB
- moleculargun11.jpg
- 614×659
- 2015/05/27 20:51
- 55.4 KB
- moleculargun12.jpg
- 608×654
- 2015/05/27 20:51
- 53.3 KB
- moleculargun13.jpg
- 614×654
- 2015/05/27 20:51
- 63.7 KB
- moleculeonsurface01.png
- 2096×1304
- 2017/02/20 12:34
- 168.8 KB
- moleculeonsurface02.png
- 2102×1074
- 2017/02/20 12:34
- 118.8 KB
- moleculeonsurface03.png
- 2094×1272
- 2017/02/20 12:34
- 148.2 KB
- moleculeonsurface04.png
- 2100×1078
- 2017/02/20 12:34
- 201 KB
- moleculeonsurface05.png
- 2100×1064
- 2017/02/20 12:34
- 113.7 KB
- moleculeonsurface06.png
- 1439×832
- 2019/12/10 16:09
- 242.7 KB
- moleculeonsurface07.png
- 1439×828
- 2019/12/10 16:09
- 373.2 KB
- moleculeonsurface08.png
- 2096×1076
- 2017/02/20 12:34
- 160 KB
- moleculestable-nplots.rar
- 2023/12/08 11:57
- 3.9 KB
- moleculestable.rar
- 2023/11/22 18:39
- 2.9 KB
- molgunofreaxams01.png
- 1409×690
- 2020/11/25 18:49
- 193.8 KB
- molgunofreaxams02.png
- 1407×674
- 2020/11/25 18:50
- 215.6 KB
- molgunofreaxams03.png
- 1409×863
- 2020/11/25 18:49
- 341.5 KB
- molgunofreaxams04.png
- 1398×685
- 2020/11/25 18:49
- 212.1 KB
- molgunofreaxams05.png
- 1401×666
- 2020/11/25 18:49
- 211.2 KB
- molmagnetic01.png
- 1360×954
- 2023/07/23 16:44
- 154.1 KB
- molmagnetic02.png
- 1360×958
- 2023/07/23 16:44
- 116.6 KB
- mols_in_traj.rar
- 2022/08/08 19:52
- 662 B
- molweight01.png
- 1341×925
- 2023/10/24 16:27
- 125.2 KB
- monovsdimmer01.png
- 1365×649
- 2020/12/01 17:52
- 123.1 KB
- monovsdimmer02.png
- 1361×643
- 2020/12/01 17:52
- 135.8 KB
- monovsdimmer03.png
- 1048×559
- 2020/12/01 17:52
- 85.3 KB
- monovsdimmer04.png
- 1049×954
- 2020/12/01 17:52
- 131.4 KB
- mopacmdmethod.png
- 714×499
- 2019/12/13 19:28
- 46.2 KB
- mos2inefield01.png
- 1426×741
- 2021/11/04 09:30
- 213.1 KB
- mos2inefield02.png
- 1440×913
- 2021/11/04 10:51
- 221.2 KB
- mos2inefield03.png
- 1189×751
- 2021/11/04 09:38
- 224 KB
- mos2inefield04.png
- 1196×750
- 2021/11/04 09:38
- 218.9 KB
- mos2inefield05.png
- 1192×753
- 2021/11/04 09:56
- 80.7 KB
- mos2inefield06.png
- 1561×1013
- 2021/11/04 10:52
- 209.6 KB
- mos2inefield07.png
- 1195×752
- 2021/11/04 10:31
- 278.1 KB
- mos2inefield08.png
- 1632×885
- 2021/11/04 10:59
- 185.3 KB
- mos2inefield09.png
- 777×466
- 2021/11/04 11:05
- 129.7 KB
- mos2pestss01.png
- 1576×1009
- 2020/04/06 16:44
- 163.1 KB
- mos2pestss02.png
- 1427×875
- 2020/11/30 21:37
- 267.7 KB
- mos2pestss03.png
- 1428×876
- 2020/11/30 21:37
- 243.3 KB
- mos2pestss04.png
- 1425×875
- 2020/11/30 21:37
- 269.4 KB
- mos2pestss05.png
- 1426×878
- 2020/11/30 21:37
- 293.6 KB
- mos2pestss06.png
- 1427×877
- 2020/11/30 21:37
- 306.1 KB
- mos2pestss07.png
- 1571×808
- 2020/11/30 21:37
- 174.4 KB
- mos2pestss08.png
- 1560×764
- 2020/11/30 21:37
- 212.4 KB
- mos2pestss09.png
- 1796×791
- 2020/11/30 21:37
- 171.4 KB
- mos2pestss10.png
- 1436×652
- 2020/11/30 21:37
- 193.1 KB
- mos2pestss11.png
- 1799×937
- 2020/11/30 21:37
- 228.7 KB
- mos2pestss12.png
- 1453×885
- 2020/11/30 21:45
- 322 KB
- mos2pestss13.png
- 1457×893
- 2020/11/30 21:45
- 277.3 KB
- mos2pestss14.png
- 1030×930
- 2020/11/30 21:45
- 161.9 KB
- mos2pestss15.png
- 1407×881
- 2020/11/30 21:45
- 216.8 KB
- mos2pestss16.png
- 1407×881
- 2020/11/30 21:45
- 189.4 KB
- mos2pestss17.png
- 1400×883
- 2020/11/30 21:45
- 257.6 KB
- mos2pestss18.png
- 1401×878
- 2020/11/30 21:45
- 194.5 KB
- mos2pestss19.png
- 1031×954
- 2020/11/30 21:45
- 152 KB
- moviereconstruct01.jpg
- 1007×678
- 2015/01/30 10:44
- 201.5 KB
- mullikenpopulation01.png
- 1420×879
- 2020/11/30 20:34
- 297.1 KB
- mullikenpopulation02.png
- 1571×967
- 2020/11/30 20:34
- 314.1 KB
- mullikenpopulation03.png
- 942×759
- 2020/11/30 20:34
- 189.7 KB
- mullikenpopulation04.png
- 1044×691
- 2020/11/30 20:34
- 165.5 KB
- multilayer_dftb-dft.png
- 879×764
- 2017/05/22 12:23
- 546.4 KB
- multisscaleoled-dec22.pptx
- 2023/04/24 17:13
- 7.8 MB
- nan01.png
- 618×365
- 2016/03/09 16:25
- 15.6 KB
- nanoreactor00.png
- 1845×1233
- 2023/04/17 22:55
- 875.5 KB
- nanoreactor01.png
- 1850×1235
- 2023/04/17 22:54
- 1.2 MB
- nanoreactor02.png
- 1494×921
- 2023/04/17 23:05
- 483.5 KB
- nanoreactor03.png
- 1487×916
- 2023/04/17 23:05
- 492.6 KB
- nanoreactor04.png
- 1493×912
- 2023/04/17 23:05
- 482.5 KB
- nanoreactor05.png
- 1489×917
- 2023/04/17 23:06
- 493.8 KB
- nanoreactor06.png
- 1287×893
- 2023/04/17 23:19
- 194.8 KB
- naxes-tp01.png
- 1347×681
- 2020/12/02 16:50
- 124.4 KB
- naxes-tp02.png
- 1350×685
- 2020/12/02 16:50
- 146.2 KB
- naxes-tp03.png
- 1343×678
- 2020/12/02 16:50
- 150.3 KB
- naxes-tp04.png
- 1347×682
- 2020/12/02 16:50
- 141.9 KB
- naxes-tp05.png
- 1142×864
- 2020/12/02 16:50
- 194.2 KB
- naxes-tp06.png
- 898×757
- 2018/03/14 13:13
- 122.5 KB
- naxes-tp07.png
- 1350×684
- 2020/12/02 16:50
- 170.9 KB
- naxes-tp08.png
- 1350×679
- 2020/12/02 16:50
- 197.9 KB
- naxes-tp09.png
- 1346×677
- 2020/12/02 16:50
- 179.9 KB
- naxes-tp10.png
- 1473×1212
- 2020/12/02 16:50
- 322 KB
- nboa01.png
- 1496×722
- 2019/02/20 16:47
- 160.2 KB
- nboa02.png
- 1494×724
- 2019/02/20 16:47
- 139.3 KB
- nboa03.png
- 1517×734
- 2019/02/20 16:47
- 129 KB
- nboa04.png
- 984×699
- 2015/08/10 18:32
- 34.7 KB
- nboa05.png
- 569×565
- 2015/08/10 18:37
- 31.4 KB
- nboa06.png
- 628×611
- 2015/08/10 19:01
- 30.8 KB
- nboa07.png
- 1144×1095
- 2019/12/05 20:16
- 226.9 KB
- nbonlmopic01.png
- 1436×817
- 2024/01/30 21:22
- 152.5 KB
- nbonlmopic02.png
- 1439×812
- 2024/01/30 21:22
- 133.5 KB
- nbonlmopic03.png
- 1407×1408
- 2024/01/30 21:25
- 297.7 KB
- nbonlmopic04.png
- 806×341
- 2024/01/30 21:27
- 39.4 KB
- nbonlmopic05.png
- 1174×341
- 2024/01/30 21:27
- 100.4 KB
- nbonmr01.png
- 2629×982
- 2018/12/12 20:47
- 164.9 KB
- nbonmr02.png
- 1368×706
- 2019/12/07 23:06
- 149.8 KB
- nbonmr03.png
- 1369×709
- 2019/12/07 23:06
- 154.8 KB
- nbonmr04.png
- 1368×706
- 2019/12/07 23:06
- 180.1 KB
- nbonmr05.png
- 1369×705
- 2019/12/07 23:06
- 142.7 KB
- nbonmr06.png
- 1367×707
- 2019/12/07 23:06
- 156.6 KB
- nbonmr07.png
- 1371×709
- 2019/12/07 23:06
- 162.5 KB
- nbonmr08.png
- 687×355
- 2018/12/12 21:24
- 43.5 KB
- nbonmr09.png
- 1273×501
- 2019/12/07 23:36
- 145.2 KB
- nbonmr10.png
- 432×383
- 2019/12/07 23:36
- 64.9 KB
- nbos1.jpeg
- 1882×1042
- 2016/11/26 22:48
- 173.6 KB
- nbos2.jpeg
- 1882×1042
- 2016/11/26 22:48
- 145.1 KB
- nbos3.jpeg
- 1882×1042
- 2016/11/26 22:48
- 178.3 KB
- nbos4.jpeg
- 1802×970
- 2016/11/26 22:54
- 107.6 KB
- nbos5.jpeg
- 3728×3116
- 2016/11/26 23:01
- 671.1 KB
- nci1.jpg
- 817×763
- 2018/06/15 10:25
- 65.6 KB
- nci1.png
- 963×643
- 2020/12/01 17:20
- 63.1 KB
- nci2.jpg
- 820×770
- 2018/06/15 10:25
- 78.1 KB
- nci2.png
- 962×642
- 2020/12/01 17:20
- 85.3 KB
- nci3.png
- 1369×676
- 2020/12/01 17:20
- 143.5 KB
- nci4.png
- 1367×659
- 2020/12/01 17:20
- 139.5 KB
- ndwaters01.jpg
- 620×335
- 2017/06/20 23:15
- 25 KB
- ndwaters02.jpg
- 620×335
- 2017/06/20 23:15
- 17.5 KB
- ndwaters03.jpg
- 620×335
- 2017/06/20 23:15
- 19 KB
- ndwaters04.jpg
- 620×335
- 2017/06/20 23:15
- 19.5 KB
- ndwaters05.jpg
- 620×335
- 2017/06/20 23:15
- 16.3 KB
- ndwaters06.jpg
- 620×335
- 2017/06/20 23:15
- 19 KB
- ndwaters07.jpg
- 620×335
- 2017/06/20 23:15
- 17.3 KB
- ndwaters08.jpg
- 620×335
- 2017/06/20 23:15
- 17.5 KB
- ndwaters09.jpg
- 620×335
- 2017/06/20 23:15
- 19.1 KB
- ndwaters10.jpg
- 620×339
- 2017/06/20 23:15
- 13.8 KB
- ndwaters11.jpg
- 620×339
- 2017/06/20 23:15
- 20.3 KB
- ndwaters12.jpg
- 620×339
- 2017/06/20 23:15
- 16.3 KB
- ndwaters13.jpg
- 620×339
- 2017/06/20 23:15
- 11.8 KB
- ndwaters14.jpg
- 620×339
- 2017/06/20 23:15
- 13.3 KB
- ndwaters15.jpg
- 620×379
- 2017/06/20 23:15
- 21.4 KB
- ndwaters16.jpg
- 620×379
- 2017/06/20 23:15
- 15.7 KB
- ndwaters17.jpg
- 620×379
- 2017/06/20 23:15
- 13.4 KB
- ndwaters18.jpg
- 620×401
- 2017/06/20 23:36
- 24.8 KB
- nebtss01.png
- 720×935
- 2020/12/01 10:11
- 91.7 KB
- nebtss02.png
- 1433×859
- 2020/12/01 10:17
- 186.7 KB
- nebtss03.png
- 1429×881
- 2020/12/01 10:17
- 168 KB
- nebtss04.png
- 1430×863
- 2020/12/01 10:17
- 194.5 KB
- nebtss05.png
- 1798×780
- 2020/12/01 10:17
- 273.7 KB
- nebtss06.png
- 1586×754
- 2020/12/01 10:17
- 215.2 KB
- nebtss07.png
- 1585×759
- 2020/12/01 10:18
- 213.3 KB
- networkreax01.png
- 1840×991
- 2020/04/14 15:47
- 52.4 KB
- networkreax02.png
- 1501×1061
- 2020/04/14 15:47
- 118.7 KB
- networkreax03.png
- 781×1111
- 2020/04/14 15:47
- 47.2 KB
- newadf2019.30101.png
- 708×502
- 2019/12/13 13:52
- 44 KB
- nexafs_workflow.pptx
- 2019/12/18 21:47
- 1.5 MB
- nics01.jpg
- 1419×728
- 2019/12/06 23:48
- 79.3 KB
- nics02.jpg
- 1419×725
- 2019/12/06 23:48
- 80.6 KB
- nics03.jpg
- 1419×730
- 2019/12/06 23:48
- 80.4 KB
- nics04.jpg
- 1415×729
- 2019/12/06 23:48
- 98.5 KB
- nics05.jpg
- 796×516
- 2014/11/24 15:48
- 83 KB
- nics06.jpg
- 269×386
- 2014/11/24 15:48
- 24.4 KB
- nics08.jpg
- 615×538
- 2014/11/24 15:57
- 109 KB
- nics09.jpg
- 1187×677
- 2014/11/24 17:48
- 161.2 KB
- nics10.jpg
- 480×204
- 2014/12/23 11:11
- 23.5 KB
- nlo.jpeg
- 850×940
- 2017/04/07 00:08
- 92.8 KB
- nlo.png
- 717×753
- 2020/12/01 14:26
- 69 KB
- nmr-openshell01.png
- 1502×944
- 2016/09/08 10:36
- 356.3 KB
- nmr01.jpeg
- 1341×686
- 2019/12/05 21:30
- 86.4 KB
- nmr01.jpg
- 837×534
- 2014/12/11 15:59
- 73.8 KB
- nmr02.jpeg
- 1341×677
- 2019/12/05 21:30
- 93.3 KB
- nmr02.jpg
- 836×533
- 2014/12/11 15:59
- 85.6 KB
- nmr03.jpeg
- 1374×1348
- 2016/11/26 23:34
- 364.2 KB
- nmr03.jpg
- 838×533
- 2014/12/11 15:59
- 86.2 KB
- nmr04.jpeg
- 1307×764
- 2019/12/05 21:30
- 104.9 KB
- nmr04.jpg
- 690×692
- 2014/12/11 15:59
- 197.2 KB
- nmr_band01.png
- 993×543
- 2017/05/17 15:32
- 128.2 KB
- nmr_band02.png
- 993×543
- 2017/05/17 15:32
- 94.2 KB
- nocv-hbonds01.png
- 1369×829
- 2019/12/07 11:45
- 290.8 KB
- nocv-hbonds02.png
- 1386×717
- 2019/12/07 11:45
- 188.9 KB
- nocv-hbonds03.png
- 1387×712
- 2019/12/07 11:45
- 210.2 KB
- nocv-hbonds04.png
- 1385×714
- 2019/12/07 11:45
- 198.6 KB
- nocv-hbonds05.png
- 843×1060
- 2019/12/07 12:19
- 183.4 KB
- nocv-hbonds06.png
- 980×1222
- 2019/12/07 12:20
- 276.8 KB
- nocv-hbonds07.png
- 977×1231
- 2019/12/07 12:25
- 304.8 KB
- nocv-hbonds08.png
- 981×1227
- 2019/12/07 12:32
- 274 KB
- nocv-hbonds09.png
- 977×1232
- 2019/12/07 12:35
- 282 KB
- nocv-hbonds10.png
- 976×1235
- 2019/12/07 12:42
- 294.1 KB
- nocv11.png
- 2000×1888
- 2016/05/18 15:37
- 205.6 KB
- nocv999.png
- 2556×1688
- 2019/05/09 13:33
- 428.5 KB
- nocvnnn.png
- 1594×58
- 2016/05/23 21:20
- 29.7 KB
- nocvorbital01.jpeg
- 2880×2468
- 2016/12/01 20:02
- 473.1 KB
- nocvorbital02.jpeg
- 2184×3684
- 2016/12/01 20:09
- 593.2 KB
- nocvorbital03.jpeg
- 2220×3704
- 2016/12/01 20:12
- 614.9 KB
- nocvvssfo00.png
- 1050×601
- 2016/09/12 17:31
- 58.2 KB
- nocvvssfo01.png
- 912×794
- 2016/09/12 17:05
- 195.9 KB
- nocvvssfo02.png
- 912×794
- 2016/09/12 17:05
- 200.7 KB
- nocvvssfo03.png
- 1594×884
- 2016/09/12 17:16
- 259.2 KB
- nocvvssfo04.png
- 1594×884
- 2016/09/12 17:16
- 244.9 KB
- npc31.jpg
- 1378×720
- 2019/12/08 13:51
- 78.7 KB
- npc32.jpg
- 1375×684
- 2020/12/01 19:54
- 99.1 KB
- npc33.jpg
- 1377×686
- 2020/12/01 19:54
- 88.3 KB
- npc34.jpg
- 1378×683
- 2020/12/01 19:54
- 82.4 KB
- nto01.png
- 1369×673
- 2020/12/01 22:53
- 133.7 KB
- nto02.png
- 1375×672
- 2020/12/01 22:53
- 162.5 KB
- nto03.png
- 1046×772
- 2020/12/01 22:53
- 149.8 KB
- nto04.png
- 2100×1350
- 2016/04/27 11:47
- 156.1 KB
- nto05.png
- 2100×1350
- 2016/04/27 11:47
- 145.1 KB
- nto06.png
- 2100×1350
- 2016/04/27 11:47
- 168.6 KB
- nto07.png
- 2000×1250
- 2016/04/27 11:47
- 94.2 KB
- nto08.png
- 2000×1874
- 2016/04/27 11:47
- 169.6 KB
- nto90.png
- 1099×830
- 2017/10/18 11:03
- 199.2 KB
- nto91.png
- 1099×828
- 2017/10/18 11:03
- 229.2 KB
- nto92.png
- 1099×773
- 2017/10/18 11:03
- 281.4 KB
- ntopt02.png
- 1371×739
- 2019/12/08 13:18
- 128.3 KB
- ntopt03.png
- 1375×701
- 2020/12/01 19:47
- 163.1 KB
- ntopt04.png
- 1367×701
- 2020/12/01 19:47
- 143.4 KB
- ntopt05.png
- 1374×698
- 2020/12/01 19:47
- 125.9 KB
- nz1c00553_0006.gif
- 510×340
- 2021/04/27 22:54
- 62.9 KB
- n_e00.png
- 1383×709
- 2020/12/01 16:06
- 137.9 KB
- n_e01.png
- 999×633
- 2020/12/01 16:06
- 67.8 KB
- n_e02.png
- 944×553
- 2020/12/01 16:08
- 102.8 KB
- n_e03.png
- 936×574
- 2020/12/01 16:06
- 104 KB
- o2-ea01.jpg
- 1393×731
- 2019/12/04 22:10
- 78.7 KB
- o2-ea02.jpg
- 695×454
- 2014/11/21 21:54
- 65.1 KB
- o2-ea03.jpg
- 721×718
- 2014/11/21 21:57
- 209 KB
- o2-ea04.jpg
- 731×505
- 2014/11/21 22:03
- 104.4 KB
- o2-ea05.jpg
- 1460×746
- 2019/12/04 22:34
- 77.9 KB
- o2-ea06.jpg
- 422×474
- 2014/11/21 22:10
- 20 KB
- o2-ea07.jpg
- 1456×742
- 2019/12/04 22:34
- 77.5 KB
- o2-ea08.jpg
- 882×477
- 2014/11/21 22:25
- 78.9 KB
- o2-ea09.jpg
- 672×570
- 2014/11/21 22:30
- 57.8 KB
- o2-ea10.jpg
- 1008×480
- 2014/11/21 22:36
- 59.8 KB
- o2-ea11.jpg
- 1007×515
- 2014/11/21 22:41
- 74.9 KB
- occupation002.png
- 1020×822
- 2017/05/20 22:09
- 189 KB
- occupation01.png
- 713×668
- 2016/03/17 11:15
- 26.3 KB
- occupation02.png
- 714×673
- 2016/03/17 11:20
- 23.6 KB
- oled01.jpeg
- 1956×804
- 2017/02/14 00:15
- 151.7 KB
- oled02.jpeg
- 1908×640
- 2017/02/14 00:15
- 120.6 KB
- oled03.jpeg
- 1724×868
- 2017/02/14 00:09
- 213.5 KB
- oled方面的应用.pdf
- 2019/12/18 22:27
- 374.5 KB
- opengl.jpg
- 1500×796
- 2018/03/12 12:45
- 320.7 KB
- openmpi.png
- 1699×878
- 2019/07/16 17:23
- 93.3 KB
- openshellfrag01.png
- 1007×500
- 2015/11/02 19:39
- 86.6 KB
- openshellfrag02.png
- 1010×499
- 2015/11/02 19:39
- 82.7 KB
- openshellfrag03.png
- 1002×499
- 2015/11/02 19:39
- 108.9 KB
- openshellfrag04.png
- 917×622
- 2015/11/02 19:39
- 54.8 KB
- openshellfragment01.png
- 919×496
- 2017/03/21 12:04
- 102.7 KB
- openshellfragment02.png
- 919×496
- 2017/03/21 12:04
- 115 KB
- openshellfragment03.png
- 919×496
- 2017/03/21 12:04
- 104.8 KB
- openshellfragment04.png
- 355×207
- 2017/03/21 12:24
- 27.7 KB
- openshellfragment05.png
- 754×298
- 2017/03/21 12:24
- 53.8 KB
- openshellfragment06.png
- 770×650
- 2017/03/21 12:46
- 57.9 KB
- openshellfragment07.png
- 820×509
- 2017/03/21 12:46
- 101.7 KB
- openshellfragment09.png
- 1018×453
- 2017/03/21 14:44
- 88 KB
- opimizeff_crystal01.png
- 449×451
- 2017/11/07 18:26
- 30.5 KB
- opimizeff_crystal02.png
- 961×558
- 2017/11/07 19:03
- 104 KB
- opimizeff_crystal03.png
- 708×819
- 2017/11/07 19:03
- 534.7 KB
- opimizeff_crystal04.png
- 622×427
- 2017/11/07 19:24
- 144.3 KB
- opimizeff_crystal05.png
- 982×658
- 2017/11/07 20:47
- 137.1 KB
- optical_xray_absorption_spectra_adf.pdf
- 2019/12/18 21:46
- 5.9 MB
- optunderpressure.png
- 714×989
- 2020/08/16 15:52
- 75.8 KB
- orbitals_fe_ch_activation.png
- 1200×1254
- 2024/04/24 22:55
- 192.6 KB
- order01.png
- 992×670
- 2016/02/26 17:57
- 34.2 KB
- organicelectronics.pptx
- 2023/04/24 17:11
- 17.2 MB
- oxidationpotentialfiles.zip
- 2022/03/20 18:19
- 24.6 KB
- params-webinar-may-2022.pdf
- 2022/05/16 18:49
- 7.9 MB
- partialcharge01.jpeg
- 932×1304
- 2019/12/07 14:09
- 234.3 KB
- partialcharge01.png
- 1571×863
- 2020/11/30 20:30
- 165.2 KB
- partialcharge02.png
- 1568×864
- 2020/11/30 20:30
- 150.5 KB
- partialcharge03.png
- 1288×1278
- 2016/11/29 22:36
- 192.1 KB
- partialhessianofband01.png
- 1414×865
- 2020/11/30 21:22
- 238.3 KB
- partialhessianofband02.png
- 1419×854
- 2020/11/30 21:23
- 226.3 KB
- partialhessianofband03.png
- 1032×1017
- 2020/11/30 21:23
- 197.3 KB
- partialhessianofband04.png
- 1419×862
- 2020/11/30 21:22
- 192.7 KB
- partitioncoeff.rar
- 2020/05/20 18:21
- 861.7 KB
- partitioncoeff01.png
- 751×545
- 2020/11/27 20:52
- 75.8 KB
- partitioncoeff02.png
- 1649×1079
- 2020/11/27 20:52
- 380.4 KB
- partitioncoeff03.png
- 1058×528
- 2020/05/20 18:16
- 150.6 KB
- pastedgraphic-1.png
- 495×334
- 2023/05/16 10:27
- 17.9 KB
- peda-nocv01.png
- 2100×1350
- 2016/05/18 16:22
- 241.6 KB
- peda-nocv02.png
- 1566×890
- 2020/11/30 16:41
- 219.6 KB
- peda-nocv03.png
- 1575×891
- 2020/11/30 16:41
- 226 KB
- peda-nocv04.png
- 1574×892
- 2020/11/30 16:41
- 225.7 KB
- peda-nocv05.png
- 1579×894
- 2020/11/30 16:41
- 305.4 KB
- peda-nocv06.png
- 1573×896
- 2020/11/30 16:41
- 227.6 KB
- peda-nocv07.png
- 1564×1162
- 2016/05/18 16:39
- 95.9 KB
- peda-nocv08.png
- 1038×1176
- 2020/11/30 16:41
- 367.1 KB
- peda-nocv09.png
- 1039×1185
- 2020/11/30 16:41
- 385.8 KB
- peda-nocv10.png
- 1034×1159
- 2020/11/30 16:41
- 378.3 KB
- peda-nocv11.png
- 2000×1902
- 2016/05/18 16:58
- 344.7 KB
- peda-nocv12.png
- 2000×1436
- 2016/05/18 17:03
- 183 KB
- peda-nocv13.png
- 2000×1250
- 2016/05/18 17:03
- 199.5 KB
- peda-nocv14.png
- 2000×1250
- 2016/05/18 17:11
- 166.6 KB
- peda-nocv15.png
- 2000×1250
- 2016/05/18 17:11
- 195.5 KB
- pedanocv01.png
- 1497×796
- 2019/02/10 22:23
- 517.2 KB
- pedanocv02.png
- 366×567
- 2019/02/10 22:23
- 111.5 KB
- pedanocv03.png
- 444×208
- 2019/02/10 22:23
- 60.4 KB
- pedanocv04.png
- 479×148
- 2019/02/10 22:23
- 46.9 KB
- pedanocv05.png
- 506×459
- 2019/02/10 22:23
- 216.9 KB
- pedanocv06.png
- 1297×341
- 2019/02/10 22:23
- 88.1 KB
- pedanocv07.png
- 1807×1548
- 2019/02/10 22:23
- 363.4 KB
- pedanocv08.png
- 1386×1269
- 2019/02/10 22:23
- 451.9 KB
- pedanocv09.png
- 1386×1269
- 2019/02/10 22:23
- 407.3 KB
- pedanocv10.png
- 1349×644
- 2019/02/19 20:22
- 32.8 KB
- peek_trimer.png
- 1000×777
- 2024/01/17 21:09
- 434.2 KB
- periodicity001.png
- 1467×880
- 2023/05/05 13:37
- 214.2 KB
- periodicity002.png
- 1461×1154
- 2023/05/05 13:37
- 253.1 KB
- permissiondennied01.jpeg
- 1538×46
- 2017/01/06 00:02
- 32.3 KB
- pesband00.png
- 1404×911
- 2019/12/09 23:13
- 157.3 KB
- pesband01.png
- 1572×924
- 2019/12/10 00:04
- 177.1 KB
- pesband02.png
- 1403×907
- 2019/12/09 23:21
- 145.6 KB
- pesband03.png
- 1400×903
- 2019/12/09 23:21
- 160.9 KB
- pesband04.png
- 1200×583
- 2018/12/11 15:53
- 163 KB
- pesband05.png
- 46×50
- 2018/12/11 15:58
- 6.2 KB
- pesexploration01.png
- 1045×536
- 2022/11/14 11:33
- 199.8 KB
- pesexploration02.png
- 1047×537
- 2022/11/14 11:33
- 203 KB
- pesexploration03.png
- 1046×541
- 2022/11/14 11:33
- 207.3 KB
- pesexploration04.png
- 1044×537
- 2022/11/14 11:33
- 202.4 KB
- pesexploration05.png
- 1045×538
- 2022/11/14 11:33
- 201.8 KB
- pesexploration06.png
- 1042×537
- 2022/11/14 11:33
- 210.6 KB
- pesexploration07.png
- 1201×648
- 2022/11/14 11:48
- 237.5 KB
- pesreaxams01.png
- 1361×823
- 2019/12/10 13:30
- 113.8 KB
- pesreaxams02.png
- 1358×819
- 2019/12/10 13:30
- 132.9 KB
- pesreaxams03.png
- 1358×828
- 2019/12/10 13:30
- 150.3 KB
- pesreaxams04.png
- 1424×830
- 2019/12/10 13:32
- 178.2 KB
- pesvslt01.png
- 1380×748
- 2021/07/31 21:04
- 135.8 KB
- pesvslt02.png
- 1385×752
- 2021/07/31 21:04
- 165.8 KB
- pesvslt03.png
- 1525×845
- 2021/07/31 21:10
- 133.2 KB
- phononandthermal01.png
- 1399×870
- 2020/11/30 20:38
- 185.4 KB
- phononandthermal01_2.png
- 1404×864
- 2020/11/30 20:38
- 177.7 KB
- phononandthermal01_4.png
- 1400×863
- 2020/11/30 20:38
- 132.5 KB
- phononandthermal02.png
- 1280×721
- 2020/11/30 20:38
- 196.8 KB
- phosphorene01.png
- 564×196
- 2021/11/05 15:56
- 11.8 KB
- phosphorene02.png
- 1080×677
- 2021/11/05 16:15
- 422.3 KB
- phosphorene03.png
- 1384×898
- 2021/11/05 16:45
- 165.5 KB
- phosphorene04.png
- 1377×906
- 2021/11/05 17:00
- 167.5 KB
- phosphorene05.png
- 1367×900
- 2021/11/05 17:00
- 137.9 KB
- phosphorene06.png
- 1354×900
- 2021/11/05 17:00
- 117.8 KB
- phosphorene07.png
- 1383×911
- 2021/11/05 17:00
- 179.2 KB
- phosphorene08.png
- 1384×905
- 2021/11/05 17:17
- 162.9 KB
- phosphorene09.png
- 1385×910
- 2021/11/05 17:17
- 149.5 KB
- phosphorene2layers.rar
- 2021/11/05 16:19
- 1.5 KB
- phosphorene10.png
- 1384×903
- 2021/11/05 17:17
- 123.7 KB
- phosphorene11.png
- 1200×411
- 2021/11/05 17:36
- 30.6 KB
- phosphorene12.png
- 1439×922
- 2021/11/05 18:45
- 217.9 KB
- phosphorene13.png
- 1138×622
- 2021/11/05 18:45
- 38 KB
- phosphorene14.png
- 1424×912
- 2021/11/05 18:45
- 87.8 KB
- phosphorene15.png
- 1689×4121
- 2021/11/05 18:47
- 371.3 KB
- phosphorene16.png
- 1689×4121
- 2021/11/05 18:48
- 642 KB
- phosphorene17.png
- 456×421
- 2021/11/05 18:54
- 16.8 KB
- phosphorene18.png
- 1000×593
- 2021/11/05 19:01
- 67.2 KB
- pka01.png
- 2058×1218
- 2016/04/29 23:48
- 112.4 KB
- pka02.png
- 1649×702
- 2020/11/27 23:00
- 124.1 KB
- pka03.png
- 882×233
- 2022/11/22 14:33
- 13.5 KB
- pka04.png
- 2058×1218
- 2016/04/29 23:48
- 172.3 KB
- pka05.png
- 3016×930
- 2016/04/29 23:48
- 163 KB
- pka06.png
- 749×696
- 2020/11/27 23:46
- 58.6 KB
- pka07.png
- 1377×632
- 2020/11/27 23:46
- 79.3 KB
- pointgroup01.jpeg
- 2022×1812
- 2016/12/21 11:35
- 448.1 KB
- pointgroup02.jpeg
- 1170×1062
- 2016/12/21 11:44
- 318.9 KB
- polarizability01.png
- 1832×960
- 2016/08/05 21:45
- 118.2 KB
- polarizability02.png
- 1832×960
- 2016/08/05 21:45
- 127.2 KB
- polarizability03.png
- 1276×730
- 2016/08/05 21:45
- 79 KB
- polarizability04.png
- 1276×730
- 2016/08/05 21:45
- 75.2 KB
- polar_stabilization.png
- 546×886
- 2024/02/08 11:06
- 189.2 KB
- polar_stabilization.zip
- 2024/05/18 11:38
- 3.2 KB
- polar_stabilization01.png
- 639×315
- 2024/02/08 15:08
- 170.8 KB
- polar_stabilization02.png
- 292×282
- 2024/02/08 15:19
- 11.7 KB
- polar_stabilization03.png
- 259×127
- 2024/02/08 15:25
- 4.1 KB
- polar_stabilization04.png
- 190×141
- 2024/02/08 15:27
- 4.2 KB
- polar_stabilization05.png
- 489×175
- 2024/02/08 16:54
- 34.6 KB
- polar_stabilization06.png
- 640×480
- 2024/02/08 16:56
- 29.2 KB
- polar_stabilization07.png
- 865×573
- 2024/02/08 17:25
- 380.6 KB
- polar_stabilization08.png
- 1261×550
- 2024/02/08 17:38
- 393.7 KB
- polar_stabilization09.png
- 1300×567
- 2024/02/08 18:05
- 431.1 KB
- polar_stabilization10.png
- 621×819
- 2024/02/08 18:24
- 114.1 KB
- polar_stabilization11.png
- 524×414
- 2024/02/08 18:34
- 105.8 KB
- polar_stabilization12.png
- 640×480
- 2024/02/08 18:34
- 36 KB
- polar_stabilization13.png
- 573×457
- 2024/02/08 18:49
- 24.5 KB
- polar_stabilization14.png
- 640×480
- 2024/02/08 18:54
- 26.5 KB
- polimer01.png
- 1371×607
- 2020/11/27 19:25
- 154 KB
- polimer02.png
- 1371×603
- 2020/11/27 19:25
- 157.1 KB
- polimer03.png
- 1375×610
- 2020/11/27 19:25
- 94.7 KB
- polimer04.png
- 1375×602
- 2020/11/27 19:25
- 94.8 KB
- polimer05.png
- 1278×671
- 2022/02/27 18:18
- 92.2 KB
- polimer06.png
- 1379×731
- 2020/11/27 19:25
- 163.3 KB
- polimor01.png
- 1411×784
- 2019/12/09 11:17
- 160.1 KB
- polimor02.png
- 1413×793
- 2019/12/09 11:17
- 151.4 KB
- polimor03.png
- 1411×788
- 2019/12/09 11:21
- 115.8 KB
- polimor04.png
- 1407×778
- 2019/12/09 11:17
- 134.3 KB
- polimor05.png
- 1411×784
- 2019/12/09 11:17
- 137.5 KB
- polimor06.png
- 1417×784
- 2019/12/09 11:17
- 168.1 KB
- polimor07.png
- 1411×793
- 2019/12/09 11:17
- 148 KB
- polimor08.png
- 1411×789
- 2019/12/09 11:23
- 120.1 KB
- poltddft1.jpg
- 620×339
- 2018/11/05 12:33
- 29 KB
- poltddft1.png
- 1375×783
- 2019/12/08 12:27
- 329.9 KB
- poltddft2.jpg
- 620×339
- 2018/11/05 12:33
- 30.9 KB
- poltddft2.png
- 1374×768
- 2019/12/08 12:27
- 315.8 KB
- poltddft3.png
- 1381×770
- 2019/12/08 12:27
- 318.4 KB
- polymernocv01.png
- 2100×1350
- 2016/05/18 20:21
- 171.8 KB
- polymernocv02.png
- 2100×1350
- 2016/05/18 20:21
- 191.8 KB
- polymernocv03.png
- 2100×1350
- 2016/05/18 20:21
- 156.3 KB
- polymernocv04.png
- 2100×1350
- 2016/05/18 20:21
- 156.7 KB
- polymernocv05.png
- 2100×1350
- 2016/05/18 20:21
- 163 KB
- polymernocv06.png
- 1436×1906
- 2016/05/18 20:41
- 119.5 KB
- polymernocv07.png
- 1436×1942
- 2016/05/18 20:41
- 226.4 KB
- polymernocv08.png
- 1436×1912
- 2016/05/18 20:42
- 160.3 KB
- polymernocv09.png
- 1436×1948
- 2016/05/18 20:42
- 238 KB
- polymers_activity_coef.png
- 1338×317
- 2024/01/18 22:44
- 56.4 KB
- polymers_binary.png
- 1484×517
- 2024/01/18 23:14
- 96.1 KB
- polymers_logp.png
- 1051×427
- 2024/01/18 23:02
- 79.4 KB
- polymers_solubility.png
- 1351×531
- 2024/01/18 23:09
- 111.5 KB
- polymers_vap_mix.png
- 1446×522
- 2024/01/18 22:54
- 114.1 KB
- polymer_builder_5.png
- 1484×722
- 2022/02/27 18:17
- 538.9 KB
- polymer_input_1.png
- 1050×680
- 2024/01/18 21:19
- 67.5 KB
- polymer_input_2.png
- 1033×736
- 2024/01/18 21:23
- 184.1 KB
- polymer_input_4.5.png
- 1138×699
- 2024/01/18 21:27
- 163.5 KB
- polymer_input_4.png
- 1109×682
- 2024/01/18 21:25
- 120.6 KB
- polymer_input_5.png
- 1050×680
- 2024/01/18 21:30
- 79.2 KB
- polymer_input_6.6.png
- 1855×721
- 2024/01/18 22:08
- 161.1 KB
- polymer_input_6.7.png
- 1757×1146
- 2024/01/18 22:19
- 368.2 KB
- polymer_input_6.png
- 1018×943
- 2024/01/18 21:40
- 217.5 KB
- posteroleds.pdf
- 2019/12/18 22:28
- 2 MB
- potentialforopenshell01.png
- 1031×701
- 2020/08/15 15:08
- 44.9 KB
- potentialforopenshell02.png
- 1326×693
- 2020/08/15 15:26
- 111.6 KB
- pr3_ion_lfdft.pptx
- 2019/12/18 21:49
- 1.5 MB
- preview15.png
- 640×480
- 2023/11/05 17:29
- 28 KB
- preview52.png
- 1001×363
- 2024/01/30 15:26
- 88.6 KB
- process_search_raw.png
- 1175×594
- 2023/12/27 17:22
- 147.9 KB
- process_search_tidy.png
- 869×507
- 2023/12/27 17:27
- 86.9 KB
- ps.bindingsites.panel.png
- 455×548
- 2023/11/05 22:28
- 61 KB
- ps.bindingsites.png
- 933×418
- 2023/11/05 22:17
- 103.8 KB
- ps.convergence.png
- 640×480
- 2023/11/05 22:41
- 30.7 KB
- ps.elandscape.png
- 1200×632
- 2023/11/05 22:31
- 100.9 KB
- ps.regions.png
- 1149×663
- 2023/11/05 21:25
- 122.1 KB
- ps.setup.png
- 1023×638
- 2023/11/05 22:12
- 77.5 KB
- purchase.jpg
- 686×597
- 2014/12/24 11:03
- 101.7 KB
- puregcmc01.png
- 1800×1152
- 2016/06/02 22:09
- 119.9 KB
- pyfrag.rar
- 2024/04/28 20:07
- 950 B
- pyrandtfsi.rar
- 2023/11/18 13:02
- 793 B
- pythonforamscosmo-rs.png
- 1759×749
- 2023/05/04 16:44
- 71.9 KB
- python在ams中应用.mp4
- 2022/04/25 18:54
- 27.2 MB
- qebanddos01.png
- 1414×853
- 2020/11/27 20:36
- 153 KB
- qebanddos02.png
- 1412×858
- 2020/11/27 20:36
- 90.2 KB
- qebanddos03.png
- 1413×861
- 2020/11/27 20:36
- 85.4 KB
- qebanddos04.png
- 703×548
- 2017/07/01 16:16
- 208.6 KB
- qebanddos05.png
- 1157×657
- 2020/11/27 20:36
- 358.5 KB
- qebanddos06.png
- 1280×742
- 2017/07/01 16:16
- 173.1 KB
- qecrystalandsurface01.png
- 1161×182
- 2024/02/07 13:56
- 15 KB
- qecrystalandsurface02.png
- 1555×906
- 2024/02/07 14:02
- 223.1 KB
- qecrystalandsurface03.png
- 1549×898
- 2024/02/07 14:02
- 403.3 KB
- qephonon1.png
- 1506×1023
- 2024/05/17 13:05
- 275.7 KB
- qephonon2.png
- 1489×1009
- 2024/05/17 16:27
- 174.8 KB
- qephonon3.png
- 1499×1012
- 2024/05/17 16:28
- 188.1 KB
- qephonon4.png
- 1914×1146
- 2024/05/17 21:44
- 305.2 KB
- qephonon5.png
- 1905×1146
- 2024/05/17 21:44
- 475.7 KB
- qmmm01.jpg
- 927×594
- 2014/11/25 15:59
- 91.8 KB
- qmmm01.png
- 1394×739
- 2019/12/07 00:34
- 266 KB
- qmmm02.jpg
- 928×593
- 2014/11/25 16:00
- 90.8 KB
- qmmm02.png
- 1393×740
- 2019/12/07 00:34
- 212.7 KB
- qmmm03.jpg
- 926×650
- 2014/11/25 16:00
- 78.5 KB
- qmmm03.png
- 1387×737
- 2019/12/07 00:34
- 217.4 KB
- qmmm04.jpg
- 929×595
- 2014/11/25 16:11
- 84.4 KB
- qmmm04.png
- 1572×856
- 2019/12/07 00:34
- 300.3 KB
- qmmm05.jpg
- 926×597
- 2014/11/25 16:12
- 99.5 KB
- qmmm06.jpg
- 928×594
- 2014/11/25 16:28
- 83.3 KB
- qmmm07.jpg
- 929×595
- 2014/11/25 16:29
- 88.5 KB
- qmmm08.jpg
- 1016×711
- 2014/11/25 16:56
- 172.5 KB
- qmmm09.jpg
- 1042×709
- 2014/11/25 17:02
- 107.5 KB
- qmmmuv01.png
- 1369×679
- 2021/03/12 15:22
- 189.2 KB
- qmmmuv02.png
- 1379×805
- 2021/03/12 15:22
- 283.9 KB
- qmmmuv03.png
- 1369×805
- 2021/03/12 15:22
- 270.6 KB
- qmmmuv04.png
- 1373×811
- 2021/03/12 15:22
- 298.4 KB
- qmmmuv05.png
- 1378×798
- 2021/03/12 15:22
- 256.6 KB
- qmmmuv06.png
- 1175×950
- 2021/03/12 15:31
- 164.7 KB
- qq图片20151201173740.png
- 818×585
- 2015/12/01 17:45
- 27.9 KB
- qq图片20220427201501.jpg
- 2969×2073
- 2022/04/27 20:17
- 4.3 MB
- qq图片20220616101433.png
- 423×750
- 2022/06/16 10:14
- 22.7 KB
- qq图片20230530171135.jpg
- 1156×550
- 2023/05/30 17:12
- 271.5 KB
- qq图片20230810212851.jpg
- 313×240
- 2023/08/10 21:29
- 3.8 KB
- qq图片20231118203113.jpg
- 1425×343
- 2023/11/18 20:31
- 88.5 KB
- qq图片20231123211053.png
- 1864×1971
- 2023/11/23 21:13
- 1.1 MB
- qq图片20231129172424.jpg
- 657×257
- 2023/11/29 17:24
- 31.7 KB
- qq图片20231222165304.jpg
- 829×544
- 2023/12/22 16:53
- 45.8 KB
- qq图片20231222165308.png
- 569×299
- 2023/12/22 16:54
- 32.8 KB
- qq图片20231222165311.png
- 670×365
- 2023/12/22 16:55
- 51.1 KB
- qspr01.png
- 1580×886
- 2021/09/02 23:13
- 188.9 KB
- raman01.png
- 549×398
- 2016/04/08 18:23
- 67.4 KB
- raman02.png
- 645×268
- 2016/04/08 18:26
- 104.8 KB
- raman03.png
- 1385×723
- 2019/12/07 13:42
- 126.4 KB
- raman04.png
- 1382×721
- 2019/12/07 13:42
- 141 KB
- raman05.png
- 1384×722
- 2019/12/07 13:42
- 114.2 KB
- raman06.png
- 1047×730
- 2019/12/07 14:02
- 120 KB
- raman07.png
- 1046×728
- 2019/12/07 14:02
- 104 KB
- rand2lmin.png
- 453×188
- 2023/11/05 20:46
- 33.2 KB
- rdf01.png
- 1426×821
- 2019/12/10 12:18
- 351.6 KB
- rdf02.png
- 1970×544
- 2019/12/10 12:18
- 240.2 KB
- rd_panel.png
- 596×555
- 2024/05/21 09:17
- 36.9 KB
- rd_system.png
- 597×611
- 2024/05/21 10:56
- 37.3 KB
- reaction.png
- 713×196
- 2024/02/05 14:03
- 18.2 KB
- reactionrate.png
- 327×121
- 2020/04/16 18:14
- 4.5 KB
- reactionrate2.png
- 578×210
- 2020/04/16 18:31
- 30.1 KB
- reactionrate3.png
- 376×115
- 2020/04/16 18:38
- 7.3 KB
- reaxff-batteries-diffusioncoefficients.pdf
- 2019/12/18 22:21
- 2.8 MB
- reaxff-batteries-voltageprofiles.pdf
- 2019/12/18 22:18
- 1.9 MB
- reaxff-users-manual-2002.pdf
- 2019/12/18 21:29
- 359.3 KB
- reaxff.png
- 592×311
- 2024/05/21 11:04
- 15 KB
- reaxffabsorption01.png
- 1050×642
- 2017/05/12 17:22
- 195.3 KB
- reaxffabsorption02.png
- 1050×642
- 2017/05/11 16:39
- 102.8 KB
- reaxffabsorption03.png
- 280×254
- 2017/05/12 00:23
- 12.8 KB
- reaxffabsorption04.png
- 627×805
- 2017/05/12 00:24
- 756.6 KB
- reaxffabsorption05.png
- 986×490
- 2017/05/12 00:23
- 122.7 KB
- reaxffbocount00.png
- 2963×2007
- 2023/04/05 13:13
- 242.4 KB
- reaxffbocount01.png
- 1868×1581
- 2023/04/05 13:11
- 436.5 KB
- reaxffmd-region01.png
- 686×322
- 2016/06/13 12:48
- 24.2 KB
- reaxffmd-region02.png
- 1968×1170
- 2016/06/13 12:48
- 203.6 KB
- reaxffmd-region03.png
- 498×380
- 2016/06/13 12:48
- 17.1 KB
- reaxffmd-region04.png
- 1966×1170
- 2016/06/13 12:48
- 204 KB
- reaxffmd-region05.png
- 1968×1170
- 2016/06/13 12:48
- 126.1 KB
- reaxffmd-region06.png
- 1968×1170
- 2016/06/13 12:48
- 120.2 KB
- reaxffmd-region07.png
- 2400×1310
- 2016/06/13 12:59
- 180.3 KB
- reaxffmd-region08.png
- 536×226
- 2016/06/13 13:00
- 17.9 KB
- reaxffmd-region09.png
- 974×362
- 2016/06/13 13:05
- 27.3 KB
- reaxffmd-region10.png
- 1968×1170
- 2016/06/13 13:13
- 136.6 KB
- reaxffmd-region11.png
- 1968×1170
- 2016/06/13 13:16
- 127.7 KB
- reaxffmd-region12.png
- 1968×1170
- 2016/06/13 13:16
- 117.7 KB
- reaxffmd-region13.png
- 1968×1170
- 2016/06/13 13:16
- 116.5 KB
- reaxffmdmc01.jpg
- 336×134
- 2015/06/02 10:09
- 17.1 KB
- reaxffmdmc02.png
- 728×484
- 2019/02/25 11:35
- 42.4 KB
- reaxffmovie01.jpg
- 1026×640
- 2014/11/28 10:53
- 129.3 KB
- reaxffslices001.png
- 1496×967
- 2023/10/17 12:44
- 239.7 KB
- reaxffslices002.png
- 1501×969
- 2023/10/17 12:44
- 221.8 KB
- reaxffslices003.png
- 1495×967
- 2023/10/17 12:52
- 264.4 KB
- reaxffslices004.png
- 1495×966
- 2023/10/17 12:52
- 225.1 KB
- reaxffslices005.png
- 1493×964
- 2023/10/17 12:55
- 257.3 KB
- reaxffslices006.png
- 1791×965
- 2023/10/17 13:15
- 230.6 KB
- reaxffslices007.png
- 1788×970
- 2023/10/17 13:15
- 241.5 KB
- reaxffslices008.png
- 1786×967
- 2023/10/17 13:15
- 250.1 KB
- reaxffslices009.png
- 1791×966
- 2023/10/17 13:15
- 260.6 KB
- reaxffslices010.png
- 1792×967
- 2023/10/17 13:15
- 565 KB
- reaxffslices011.png
- 1556×968
- 2023/10/17 13:31
- 202.7 KB
- reaxffstressopt01.png
- 971×571
- 2022/08/04 21:38
- 138.9 KB
- reaxffstressopt02.png
- 972×571
- 2022/08/04 21:38
- 143.7 KB
- reaxffstressopt03.png
- 1198×645
- 2022/08/04 21:39
- 162.1 KB
- reaxfftmp01.png
- 1920×1098
- 2016/07/06 00:00
- 266.9 KB
- reaxfftmp02.png
- 720×834
- 2019/12/10 10:01
- 59.8 KB
- reaxfftmp03.png
- 1920×1098
- 2016/07/06 00:31
- 174.1 KB
- reaxfftmp04.png
- 1752×968
- 2016/07/06 00:30
- 144.9 KB
- reaxfftss01.png
- 1453×734
- 2020/11/25 16:03
- 129.4 KB
- reaxfftss01_2.png
- 1449×738
- 2020/11/25 16:01
- 127.9 KB
- reaxfftss02.png
- 1447×744
- 2020/11/25 16:09
- 125.5 KB
- reaxfftss02_2.png
- 1447×741
- 2020/11/25 16:09
- 137.6 KB
- reaxfftss03.png
- 720×725
- 2019/12/10 13:04
- 35 KB
- reaxfftss04.png
- 1575×766
- 2020/11/25 16:23
- 148.5 KB
- reaxfftss05.png
- 1568×760
- 2020/11/25 16:23
- 147.3 KB
- reaxfftss05_2.png
- 1575×761
- 2020/11/25 16:30
- 122.6 KB
- reaxfftss06.png
- 1423×694
- 2020/11/25 16:48
- 176.1 KB
- reaxfftss07.png
- 942×572
- 2018/03/28 17:18
- 113.3 KB
- reaxff_eads.zip
- 2024/02/08 18:48
- 10.4 KB
- reaxff_pause01.png
- 486×279
- 2014/11/28 10:48
- 8.2 KB
- reaxff_pause02.png
- 491×245
- 2014/11/28 10:48
- 6.4 KB
- reaxff引用率.jpg
- 495×344
- 2015/04/13 19:26
- 20.1 KB
- reaxff模拟锂离子扩散系数.mp4
- 2022/04/28 10:49
- 20 MB
- reaxhilight202001.png
- 886×681
- 2020/05/09 11:38
- 89 KB
- reaxmdmethod.png
- 704×484
- 2019/12/13 19:38
- 47.1 KB
- reaxtmp01.png
- 1412×908
- 2019/12/10 09:54
- 479.5 KB
- red01.png
- 1389×772
- 2019/12/10 10:48
- 567.6 KB
- red02.png
- 895×492
- 2019/12/10 10:51
- 52.4 KB
- red03.png
- 2690×1710
- 2016/05/04 17:49
- 527.3 KB
- redox.rar
- 2022/03/20 18:18
- 5.4 KB
- redox005.png
- 406×58
- 2022/03/20 18:24
- 4.5 KB
- redox006.png
- 580×158
- 2022/03/20 18:38
- 17.2 KB
- redox007.png
- 473×33
- 2022/03/20 18:27
- 4.7 KB
- redox008.png
- 621×152
- 2022/03/20 18:38
- 16.8 KB
- redox009.png
- 329×32
- 2022/03/20 18:27
- 3.8 KB
- regions_panel.png
- 1018×438
- 2023/12/27 16:50
- 69.7 KB
- relaxationsad.png
- 590×709
- 2023/02/21 10:21
- 148.1 KB
- remdreaxams01.png
- 1569×1002
- 2019/12/14 16:04
- 421.8 KB
- remdreaxams02.png
- 1425×699
- 2020/11/25 22:58
- 416.7 KB
- remdreaxams03.png
- 1422×694
- 2020/11/25 22:58
- 423.8 KB
- remdreaxams04.png
- 1421×698
- 2020/11/25 22:58
- 422.2 KB
- remdreaxams05.png
- 1235×938
- 2020/11/26 09:26
- 1.1 MB
- remdreaxams06.png
- 918×748
- 2020/11/25 23:02
- 512.7 KB
- remdreaxams07.png
- 718×294
- 2020/11/26 20:52
- 29.8 KB
- remote01.png
- 483×471
- 2016/01/03 17:31
- 7.9 KB
- remote02.png
- 483×471
- 2016/01/03 17:31
- 12.8 KB
- remote03.png
- 483×471
- 2016/01/03 17:31
- 12.2 KB
- remote04.png
- 679×464
- 2016/01/03 17:31
- 19.5 KB
- remote05.png
- 501×357
- 2016/01/03 17:31
- 5.7 KB
- remote06.png
- 608×333
- 2016/01/03 17:31
- 7.6 KB
- removiemoles01.png
- 1376×981
- 2023/03/27 21:23
- 323.3 KB
- removiemoles02.png
- 1374×992
- 2023/03/27 21:27
- 474.4 KB
- restart01.png
- 962×667
- 2016/03/03 12:39
- 46 KB
- restartofmd.png
- 1059×734
- 2022/04/20 17:47
- 46.5 KB
- restrictedopenshell01.png
- 872×475
- 2017/05/09 14:07
- 98.7 KB
- restrictedopenshell02.png
- 794×520
- 2017/05/09 14:07
- 88.6 KB
- restrictedopenshell03.png
- 930×457
- 2017/05/09 14:07
- 87.2 KB
- restrictedopenshell04.png
- 797×521
- 2017/05/09 14:07
- 86.5 KB
- restrictedopenshell05.png
- 1005×477
- 2017/05/09 14:07
- 87.6 KB
- restrictedopenshell06.png
- 1005×477
- 2017/05/09 14:07
- 56.6 KB
- restrictedopenshell07.png
- 796×521
- 2017/05/09 14:07
- 101.3 KB
- restrictedopenshell08.png
- 993×507
- 2017/05/09 14:07
- 103.2 KB
- restrictedopenshell09.png
- 796×521
- 2017/05/09 14:26
- 94.4 KB
- restrictedopt01.jpeg
- 2100×1152
- 2018/01/29 09:31
- 143.9 KB
- restrictedopt01.png
- 1407×731
- 2020/11/30 14:43
- 141.2 KB
- restrictedopt02.jpeg
- 2100×1152
- 2018/01/29 09:31
- 132.6 KB
- restrictedopt02.png
- 1405×850
- 2020/11/30 14:43
- 152.9 KB
- restrictedopt03.jpeg
- 2100×1152
- 2018/01/29 09:31
- 160.1 KB
- restrictedopt03.png
- 1412×792
- 2019/12/09 13:04
- 104.6 KB
- restrictedopt04.png
- 1050×642
- 2018/01/29 21:26
- 73.8 KB
- rho01.png
- 1842×822
- 2016/09/08 11:32
- 201 KB
- rho02.png
- 1852×908
- 2016/09/08 11:32
- 208.7 KB
- rigidopt202101.png
- 1357×882
- 2021/08/26 21:23
- 142.6 KB
- rigidopt202102.png
- 1339×873
- 2021/08/26 21:23
- 160.9 KB
- rigidopt202103.png
- 1328×872
- 2021/08/26 21:23
- 202.7 KB
- rigidopt202104.png
- 1336×863
- 2021/08/26 21:23
- 200.6 KB
- rigidscan01.png
- 1431×841
- 2020/05/24 10:28
- 136.4 KB
- rigidscan02.png
- 1429×838
- 2020/05/24 10:28
- 129.9 KB
- rigidscan03.png
- 1424×833
- 2020/05/24 10:28
- 175.4 KB
- risc01.png
- 902×192
- 2019/01/30 18:10
- 12.6 KB
- risc02.png
- 716×227
- 2019/02/02 16:05
- 11 KB
- risc03.png
- 986×210
- 2019/02/02 16:05
- 13 KB
- ro01.png
- 911×484
- 2017/03/17 12:17
- 98.3 KB
- ro02.png
- 420×227
- 2017/03/17 12:17
- 56.2 KB
- ro03.png
- 686×452
- 2017/03/17 12:17
- 40.3 KB
- ro04.png
- 911×484
- 2017/03/17 12:17
- 96.2 KB
- ro05.png
- 581×475
- 2017/03/17 12:17
- 30.1 KB
- rootsupercell.jpg
- 349×274
- 2021/07/16 22:53
- 23.5 KB
- rootsupercell2.jpg.png
- 343×260
- 2021/07/16 22:54
- 12.9 KB
- rotatemolecule01.png
- 1762×1128
- 2023/05/06 14:58
- 626 KB
- rotatemolecule02.png
- 1756×1126
- 2023/05/06 15:14
- 464.5 KB
- rotatemolecule03.png
- 1748×1125
- 2023/05/06 15:18
- 579.2 KB
- rshtuning.png
- 713×724
- 2019/01/16 00:03
- 73.1 KB
- rxkf01.png
- 1180×649
- 2015/11/18 11:32
- 45 KB
- scalaruv01.png
- 1370×715
- 2019/12/08 15:02
- 136.1 KB
- scalaruv02.png
- 1375×718
- 2019/12/08 15:02
- 154.4 KB
- scalaruv03.png
- 1051×815
- 2019/12/08 15:16
- 125.8 KB
- scf001.png
- 374×183
- 2022/02/15 13:46
- 6.5 KB
- scf002.png
- 480×128
- 2022/02/15 13:46
- 6.4 KB
- scfproblem01.png
- 261×281
- 2022/06/08 12:44
- 1.4 KB
- scm-cosmo-rs.rar
- 2022/11/16 21:30
- 5.2 MB
- scmd.jpg
- 319×201
- 2015/04/09 07:13
- 19.8 KB
- scratch01.png
- 797×268
- 2016/01/28 23:59
- 20.1 KB
- screenshot-2023-10-30-at-11.58.45-1536x586.png
- 900×343
- 2024/02/18 21:35
- 182.5 KB
- sdg.jpg
- 1797×1195
- 2023/04/11 21:31
- 249.2 KB
- se.png
- 330×87
- 2019/03/04 10:04
- 5.2 KB
- sealfhealing06.png
- 640×832
- 2018/09/13 13:33
- 271.1 KB
- sedd1.png
- 337×109
- 2018/03/22 12:47
- 10.4 KB
- selectcertainmol.png
- 776×387
- 2022/05/18 09:50
- 13.6 KB
- selectforcefield01.png
- 952×348
- 2016/09/25 23:31
- 40.6 KB
- self-adjusting-dye-dssc.jpg
- 709×358
- 2020/07/07 23:06
- 40.9 KB
- selfhealing00.png
- 1947×1021
- 2018/09/13 13:36
- 1.4 MB
- selfhealing01.png
- 1226×2043
- 2018/09/13 13:27
- 590.9 KB
- selfhealing02.png
- 2089×1139
- 2018/09/13 13:13
- 270.7 KB
- selfhealing03.png
- 2084×1136
- 2018/09/13 13:13
- 224.9 KB
- selfhealing04.png
- 1199×1152
- 2018/09/13 13:25
- 327.2 KB
- selfhealing05.png
- 1192×1243
- 2018/09/13 13:25
- 426.2 KB
- sers01.png
- 1377×689
- 2019/12/08 21:01
- 275.8 KB
- sers02.png
- 1374×708
- 2019/12/08 21:01
- 281.3 KB
- sers03.png
- 1369×699
- 2019/12/08 21:01
- 271.1 KB
- sers04.png
- 420×227
- 2017/05/24 14:01
- 60.8 KB
- sers05.png
- 420×131
- 2017/05/24 14:01
- 25.4 KB
- sers06.png
- 1228×889
- 2019/12/08 21:01
- 122.1 KB
- sers07.png
- 1372×696
- 2019/12/08 21:01
- 251.4 KB
- sers08.png
- 1140×865
- 2020/12/02 15:47
- 102.2 KB
- sers99.png
- 1372×700
- 2019/12/08 21:01
- 294.1 KB
- settings_co2.png
- 1427×776
- 2024/01/26 18:39
- 102.2 KB
- settings_co2_1.png
- 1484×392
- 2024/01/26 18:45
- 294 KB
- settings_co2_2.png
- 1427×775
- 2024/01/26 18:56
- 171.5 KB
- settings_co2_3.png
- 1698×1121
- 2024/01/26 19:09
- 350.4 KB
- settings_co2_4.png
- 1049×106
- 2024/01/26 19:13
- 12 KB
- settings_co2_5.png
- 1026×573
- 2024/01/26 19:41
- 58.5 KB
- settings_co2_6.png
- 1435×775
- 2024/01/26 20:25
- 211 KB
- settings_co2_7.png
- 1469×1014
- 2024/01/26 20:36
- 361.8 KB
- settings_co2_8.png
- 460×345
- 2024/01/26 20:47
- 31 KB
- settings_co2_9.png
- 1198×597
- 2024/01/26 21:06
- 198.4 KB
- settings_co2_a.png
- 640×480
- 2024/01/26 21:21
- 28.6 KB
- sfasf.png
- 1395×345
- 2023/02/15 21:12
- 35.8 KB
- sfo01.png
- 866×452
- 2016/03/02 10:58
- 37.6 KB
- sfo02.png
- 853×512
- 2016/03/02 10:58
- 40.7 KB
- sfo03.png
- 903×624
- 2016/03/02 11:00
- 15.4 KB
- sfo04.png
- 842×764
- 2016/03/02 11:04
- 58.8 KB
- sfo05.png
- 986×1768
- 2016/03/02 11:32
- 103.6 KB
- sfooverlap.png
- 2819×1378
- 2023/05/15 13:29
- 861.7 KB
- sfooverlap001.png
- 1363×788
- 2023/05/24 22:51
- 112.5 KB
- sfooverlap002.png
- 1357×789
- 2023/05/24 22:51
- 116.8 KB
- sfooverlap003.png
- 1363×789
- 2023/05/24 22:51
- 97 KB
- sfooverlap01.png
- 1454×1630
- 2016/07/22 17:05
- 137.7 KB
- sfooverlap02.png
- 1357×686
- 2019/12/07 16:23
- 125.6 KB
- sfooverlap03.png
- 1361×687
- 2019/12/07 16:23
- 142.8 KB
- sfooverlap04.png
- 1362×691
- 2019/12/07 16:23
- 163.8 KB
- sfooverlap05.png
- 1360×691
- 2019/12/07 16:23
- 145.9 KB
- sfooverlap06.png
- 1606×2044
- 2016/07/22 18:27
- 228.9 KB
- sfooverlap07.png
- 1310×298
- 2016/07/22 18:27
- 60.7 KB
- sfooverlap08.png
- 1286×224
- 2016/07/22 18:33
- 25.3 KB
- sfooverlap09.png
- 1800×1250
- 2016/07/22 18:34
- 75.1 KB
- sfooverlap10.png
- 1606×2044
- 2016/07/22 18:37
- 314.9 KB
- shake.png
- 875×748
- 2023/01/09 18:17
- 81.8 KB
- showwholezfs.png
- 2482×1173
- 2023/12/16 23:40
- 523.7 KB
- sigma01.png
- 838×791
- 2020/05/07 11:38
- 108.3 KB
- sigma02.png
- 756×454
- 2020/11/27 19:56
- 71.1 KB
- sigma03.png
- 899×589
- 2020/11/27 19:56
- 312.9 KB
- sigma04.png
- 900×586
- 2020/11/27 19:56
- 363.4 KB
- sigmafile_example.rar
- 2024/03/06 11:43
- 783 B
- siliceofsilicon01.png
- 1426×829
- 2020/11/25 18:10
- 254.1 KB
- siliceofsilicon02.png
- 1423×825
- 2020/11/25 18:10
- 177.6 KB
- siliceofsilicon03.png
- 1421×827
- 2020/11/25 18:10
- 234.1 KB
- siliceofsilicon04.png
- 1410×826
- 2020/11/25 18:10
- 177.2 KB
- siliceofsilicon05.png
- 1422×831
- 2020/11/25 18:10
- 274.8 KB
- siliceofsilicon06.png
- 341×270
- 2019/12/10 16:43
- 11.2 KB
- siliceofsilicon07.png
- 900×522
- 2020/11/25 18:10
- 314.3 KB
- sink0004.png
- 1823×774
- 2019/12/13 20:05
- 300.4 KB
- sink005.png
- 1798×747
- 2020/11/25 12:04
- 400.3 KB
- sink006.png
- 748×797
- 2020/11/25 12:01
- 56.1 KB
- sink007.png
- 1798×755
- 2020/11/25 12:01
- 261.5 KB
- sink008.png
- 899×495
- 2020/11/25 12:07
- 53.9 KB
- sink009.png
- 1688×1018
- 2021/01/14 17:18
- 144 KB
- sink01.png
- 1403×788
- 2020/11/25 11:01
- 204.7 KB
- sink02.png
- 1401×791
- 2020/11/25 11:01
- 260.1 KB
- sink03.png
- 1403×794
- 2020/11/25 11:01
- 272.2 KB
- sink04.png
- 1404×792
- 2020/11/25 11:26
- 196.6 KB
- sink05.png
- 1423×778
- 2020/11/25 15:10
- 322.5 KB
- sink05_2.png
- 708×431
- 2020/11/25 15:23
- 33.4 KB
- sink06.png
- 1794×966
- 2020/11/25 15:48
- 278.2 KB
- slabliquidsyst01.png
- 1582×1245
- 2024/02/29 21:19
- 257.4 KB
- slabliquidsyst02.png
- 1508×911
- 2024/02/29 21:19
- 240.4 KB
- slabliquidsyst03.png
- 1508×911
- 2024/02/29 21:19
- 204.6 KB
- slabliquidsyst04.png
- 1508×910
- 2024/02/29 21:19
- 227.5 KB
- slabliquidsyst05.png
- 1508×910
- 2024/02/29 21:19
- 215 KB
- slabliquidsyst06.png
- 1505×903
- 2024/02/29 21:19
- 236.2 KB
- slabliquidsyst07.png
- 1508×904
- 2024/02/29 21:35
- 317.9 KB
- slabliquidsyst08.png
- 1573×956
- 2024/02/29 21:41
- 334 KB
- slabmagnetic01.png
- 1355×973
- 2023/07/23 17:08
- 164.7 KB
- slabmagnetic02.png
- 1361×967
- 2023/07/23 17:08
- 153.4 KB
- slabmagnetic03.png
- 1361×968
- 2023/07/23 17:08
- 127.4 KB
- slabmagnetic04.png
- 1363×974
- 2023/07/23 17:08
- 149.1 KB
- slabmagnetic05.png
- 1363×968
- 2023/07/23 17:08
- 131.6 KB
- slabsandliquid01.png
- 1584×1008
- 2024/02/29 19:37
- 248.4 KB
- slabsandliquid02.png
- 1585×900
- 2024/02/29 19:42
- 200.6 KB
- slabsandliquid03.png
- 1585×1285
- 2024/02/29 20:03
- 352.2 KB
- slabsandliquid04.png
- 678×314
- 2024/02/29 20:07
- 48.4 KB
- slabsandliquid05.png
- 1780×965
- 2024/02/29 20:09
- 277.2 KB
- slabsandliquid06.png
- 1784×972
- 2024/02/29 20:13
- 185.7 KB
- slides.pdf
- 2022/11/04 23:56
- 12.9 MB
- slurmremote01.png
- 707×712
- 2021/11/17 21:14
- 31.4 KB
- slurmremote02.png
- 1066×613
- 2021/11/17 21:29
- 74.1 KB
- slurmremote03.png
- 1070×606
- 2021/11/17 21:41
- 82.8 KB
- slurmremote04.png
- 1057×608
- 2021/11/17 21:44
- 80.4 KB
- soc01.jpg
- 891×479
- 2015/05/19 00:35
- 78.7 KB
- soc01.png
- 1364×715
- 2019/12/08 17:22
- 121.7 KB
- soc02.jpg
- 895×480
- 2015/05/19 00:35
- 81.9 KB
- soc02.png
- 1362×816
- 2019/12/08 17:22
- 156.6 KB
- soc03.jpg
- 894×480
- 2015/05/19 00:35
- 65.2 KB
- soc04.jpg
- 605×447
- 2015/05/19 00:42
- 97.8 KB
- soc05.jpg
- 385×414
- 2015/05/19 02:20
- 75.8 KB
- soc06.jpg
- 415×416
- 2015/05/19 02:21
- 74 KB
- soc07.jpg
- 493×1401
- 2015/05/19 02:25
- 333.6 KB
- soc08.jpg
- 670×309
- 2015/05/19 02:27
- 67.6 KB
- soc09.jpg
- 691×262
- 2015/05/19 02:29
- 51.2 KB
- soc10.jpg
- 684×236
- 2015/05/19 02:30
- 51.8 KB
- socaffectsnmr01.png
- 700×464
- 2018/04/08 20:37
- 62.1 KB
- socaffectsnmr02.png
- 700×466
- 2018/04/08 20:37
- 59.9 KB
- socaffectsnmr03.png
- 1140×706
- 2018/04/08 20:37
- 44.4 KB
- socmeavt.png
- 605×104
- 2023/11/06 18:17
- 7.5 KB
- socmes01.png
- 636×636
- 2016/08/09 17:31
- 63.3 KB
- socme_mlct.rar
- 2019/12/18 22:30
- 64 MB
- socme_mlct01.png
- 994×487
- 2017/10/11 10:48
- 157.3 KB
- socme_mlct02.png
- 994×487
- 2017/10/11 10:48
- 161.1 KB
- socme_mlct03.png
- 420×131
- 2017/10/11 10:49
- 22.6 KB
- socme_mlct04.png
- 987×587
- 2017/10/11 10:54
- 186.6 KB
- socme_mlct05.png
- 997×474
- 2017/10/11 11:07
- 146.7 KB
- socme_mlct06.png
- 997×474
- 2017/10/11 11:07
- 151.8 KB
- socme_mlct07.png
- 1328×816
- 2019/02/17 15:53
- 211.8 KB
- socme_mlct08.png
- 1808×1257
- 2019/02/21 14:02
- 643.2 KB
- socme_mlct09.png
- 1812×1255
- 2019/02/21 14:02
- 581.1 KB
- socnmr01.png
- 1842×1048
- 2016/08/31 16:45
- 265.9 KB
- socnmr02.png
- 1842×1048
- 2016/08/31 16:31
- 270.8 KB
- socnmr03.png
- 1842×1048
- 2016/08/31 16:31
- 238.6 KB
- socnmr04.png
- 1842×1048
- 2016/08/31 17:25
- 276.6 KB
- socnmr05.png
- 1244×854
- 2016/08/31 17:26
- 102.7 KB
- socnmr09.jpeg
- 4428×3068
- 2016/11/26 23:16
- 575.8 KB
- socuv01.png
- 1373×719
- 2019/12/08 15:21
- 108.6 KB
- socuv02.png
- 1373×717
- 2019/12/08 15:21
- 126.5 KB
- socuv03.png
- 1051×811
- 2019/12/08 15:40
- 115.6 KB
- solidinliquid01.png
- 1652×1131
- 2021/11/10 16:18
- 186.4 KB
- solidinliquid02.png
- 864×696
- 2021/11/10 16:18
- 70.4 KB
- solidinliquid03.png
- 1638×899
- 2021/11/10 16:18
- 73.5 KB
- solvation.png
- 482×619
- 2016/01/07 13:17
- 21.6 KB
- solvation01.png
- 1582×923
- 2021/09/02 23:11
- 169.1 KB
- solvation02.jpg
- 1054×701
- 2020/05/11 15:35
- 134 KB
- solvation03.jpg
- 1647×1125
- 2020/05/11 15:56
- 237.3 KB
- solvation03.png
- 900×595
- 2020/11/27 20:23
- 430.9 KB
- solvation04.jpg
- 1640×1089
- 2018/10/19 00:32
- 247.9 KB
- solvation04.png
- 900×643
- 2020/11/27 20:23
- 419.1 KB
- sp-band01.png
- 1687×1049
- 2020/11/30 17:07
- 334.8 KB
- spin-flip01.png
- 1345×721
- 2019/12/08 23:46
- 133.7 KB
- spin-flip02.png
- 1342×722
- 2019/12/08 23:46
- 155.7 KB
- spin-flip03.png
- 1143×849
- 2019/12/08 23:54
- 104.1 KB
- spin-flip04.png
- 1131×498
- 2019/12/08 23:54
- 77.2 KB
- spin-flip2.png
- 932×500
- 2017/11/23 18:12
- 102.5 KB
- spindensity01.png
- 1339×681
- 2019/12/05 18:27
- 99.7 KB
- spindensity02.png
- 1191×624
- 2019/12/05 18:30
- 243.8 KB
- spindensityadf01.png
- 1350×770
- 2020/03/07 13:37
- 101.4 KB
- spindensityband01.png
- 1425×918
- 2020/03/07 13:50
- 151.4 KB
- spindensityband02.png
- 1423×702
- 2020/03/07 13:53
- 125.8 KB
- spinor01.jpg
- 1363×693
- 2019/12/08 11:57
- 79 KB
- spinor02.jpg
- 1366×690
- 2019/12/08 11:57
- 72.9 KB
- spinor03.png
- 960×1122
- 2019/12/08 11:57
- 399.1 KB
- split01.jpg
- 478×427
- 2014/12/17 19:53
- 100 KB
- splitofdf00.png
- 1501×781
- 2021/08/06 13:53
- 182.4 KB
- splitofdf01.png
- 1494×757
- 2021/08/06 13:53
- 152.3 KB
- splitofdf02.png
- 1486×786
- 2021/08/06 14:04
- 168.5 KB
- splitofdf08.png
- 1353×1169
- 2021/08/06 14:11
- 156.6 KB
- splitofdf09.png
- 1335×1161
- 2021/08/06 14:04
- 123.9 KB
- srvsso01.png
- 1360×732
- 2019/12/07 22:12
- 105.1 KB
- srvsso02.png
- 1357×729
- 2019/12/07 22:12
- 110.7 KB
- srvsso03.png
- 1358×728
- 2019/12/07 22:12
- 95.2 KB
- srvsso04.png
- 1362×730
- 2019/12/07 22:12
- 96.2 KB
- srvsso05.png
- 1353×926
- 2019/12/07 22:12
- 39.2 KB
- srvsso06.png
- 631×601
- 2020/12/01 15:16
- 101.1 KB
- srvsso07.png
- 635×600
- 2020/12/01 15:16
- 98.4 KB
- ssc01.png
- 2370×1900
- 2018/04/03 23:49
- 302.7 KB
- ssc02.png
- 2825×1900
- 2018/04/03 23:49
- 348.1 KB
- ssc03.png
- 1362×725
- 2019/12/07 22:21
- 140.8 KB
- ssc04.png
- 1365×732
- 2019/12/07 22:21
- 150.9 KB
- statusofbandbigsystem.jpg
- 870×1171
- 2020/04/06 16:13
- 946.2 KB
- stddft.png
- 785×1026
- 2018/03/19 19:03
- 143.8 KB
- strain.rar
- 2021/11/09 11:28
- 733 B
- stressopt01.png
- 1108×655
- 2022/08/04 21:21
- 76.4 KB
- stressopt02.png
- 1110×653
- 2022/08/04 21:19
- 70.3 KB
- stressopt03.png
- 1102×652
- 2022/08/04 21:19
- 74.5 KB
- stressopt04.png
- 1104×655
- 2022/08/04 21:19
- 77.2 KB
- stressreaxff01.png
- 934×513
- 2022/08/04 20:14
- 103.4 KB
- stressreaxff02.png
- 937×513
- 2022/08/04 20:14
- 99.1 KB
- stresstensor01.png
- 987×576
- 2022/08/04 19:38
- 51.2 KB
- stresstensor02.png
- 986×569
- 2022/08/04 19:38
- 50.9 KB
- stresstensor03.png
- 985×572
- 2022/08/04 19:38
- 43.4 KB
- stress_reaxff01.png
- 1055×377
- 2018/04/28 10:16
- 299.4 KB
- stress_reaxff02.png
- 1576×928
- 2019/12/10 15:32
- 559.1 KB
- stress_reaxff03.png
- 1574×873
- 2019/12/10 15:32
- 479.3 KB
- stress_reaxff04.png
- 1572×874
- 2019/12/10 15:32
- 482.9 KB
- stress_reaxff05.png
- 1574×872
- 2019/12/10 15:32
- 465 KB
- stress_reaxff06.png
- 1433×1049
- 2018/04/28 10:16
- 268.4 KB
- stress_reaxff07.png
- 1407×1049
- 2018/04/28 10:16
- 148 KB
- stress_reaxff08.png
- 1712×1043
- 2018/04/28 10:16
- 208.8 KB
- stress_strain_curve.rar
- 2020/02/27 17:25
- 1.2 KB
- stress_strain_npt_settings01.png
- 1920×982
- 2020/12/28 17:37
- 645.9 KB
- stress_strain_npt_settings02.png
- 715×879
- 2020/12/28 17:37
- 80.1 KB
- stress_strain_npt_settings03.png
- 721×582
- 2020/12/28 17:37
- 62.3 KB
- stress_strain_npt_settings04.png
- 715×494
- 2020/12/28 17:37
- 47.8 KB
- stress_strain_npt_settings05.png
- 723×758
- 2020/12/28 17:37
- 83.4 KB
- stress_strain_npt_settings06.png
- 717×783
- 2020/12/28 17:37
- 75.7 KB
- stress_strain_npt_settings07.png
- 1433×1049
- 2020/12/28 17:37
- 268.4 KB
- stress_strain_npt_settings08.png
- 1407×1049
- 2020/12/28 17:37
- 148 KB
- stress_strain_npt_settings09.png
- 1712×1043
- 2020/12/28 17:37
- 208.8 KB
- st_excitation01.jpg
- 1008×678
- 2015/02/28 16:52
- 81.3 KB
- st_excitation02.jpg
- 1012×680
- 2015/02/28 16:52
- 81.6 KB
- st_excitation03.jpg
- 1017×286
- 2015/02/28 16:55
- 80.2 KB
- st_excitation04.jpg
- 1011×339
- 2015/02/28 16:59
- 51.9 KB
- st_excitation05.jpg
- 1008×679
- 2015/02/28 17:16
- 85.7 KB
- st_excitation06.jpg
- 1012×679
- 2015/02/28 17:16
- 80 KB
- st_excitation07.jpg
- 1009×678
- 2015/02/28 17:16
- 69.6 KB
- st_excitation08.jpg
- 1011×679
- 2015/02/28 17:35
- 85.5 KB
- st_excitation09.jpg
- 1011×680
- 2015/02/28 17:35
- 89.2 KB
- st_excitation10.jpg
- 1010×680
- 2015/02/28 17:35
- 87.2 KB
- st_excitation11.jpg
- 1010×679
- 2015/02/28 17:35
- 81.4 KB
- substitutes01.png
- 1021×657
- 2018/02/23 21:03
- 178.7 KB
- substitutes02.png
- 1021×657
- 2018/02/23 21:03
- 178.7 KB
- substitutes03.png
- 1021×657
- 2018/02/23 21:03
- 178.7 KB
- substitutes04.png
- 1021×657
- 2018/02/23 21:03
- 178.7 KB
- surface_energy_jobs.rar
- 2024/02/08 17:08
- 1.4 KB
- surface_energy_postprocessing.rar
- 2024/02/08 17:09
- 1.4 KB
- surface_supercells.png
- 639×315
- 2021/07/17 19:27
- 170.8 KB
- surface_supercells2.png
- 266×247
- 2021/07/17 19:31
- 8.3 KB
- t1-freq-dft01.png
- 1878×1024
- 2016/11/30 16:12
- 268.2 KB
- t1-freq-dft02.png
- 2018×1534
- 2016/11/30 16:12
- 112.8 KB
- t1-freq-dft03.png
- 2064×1036
- 2016/11/30 16:51
- 257.8 KB
- t1-freq-dft04.png
- 2064×1036
- 2016/11/30 16:51
- 261.6 KB
- t1-freq-dft05.png
- 2064×1036
- 2016/11/30 16:51
- 223.8 KB
- t1-freq-dft06.png
- 2064×1036
- 2016/11/30 16:51
- 281.2 KB
- t1-freq-dft07.png
- 2064×1036
- 2016/11/30 16:53
- 240.8 KB
- t1-freq-dft08.png
- 1812×888
- 2016/11/30 16:56
- 159.9 KB
- t1-opt01.png
- 1345×676
- 2020/12/01 19:17
- 147.4 KB
- t1-opt02.png
- 1347×678
- 2020/12/01 19:17
- 133.4 KB
- t1-opt03.png
- 759×746
- 2020/12/01 19:17
- 95.6 KB
- t1-opt04.png
- 1373×703
- 2020/12/01 19:17
- 139 KB
- t1-opt05.png
- 1372×703
- 2020/12/01 19:17
- 165.8 KB
- t1-opt06.png
- 1375×704
- 2020/12/01 19:17
- 131.9 KB
- t1-opt07.png
- 819×748
- 2020/12/01 19:17
- 75.9 KB
- t1-opt09.png
- 1938×1004
- 2016/11/30 15:05
- 246.7 KB
- t1-opt10.png
- 1938×1004
- 2016/11/30 15:16
- 232.8 KB
- t3_binmixvaporpressures.png
- 858×316
- 2023/08/07 19:56
- 22.7 KB
- t3_binmixvle.png
- 871×256
- 2023/08/01 22:42
- 21.7 KB
- t3_compositionlinegraph.png
- 845×395
- 2023/08/02 20:24
- 23.8 KB
- t3_compositionlinegraphgmix.png
- 904×407
- 2023/08/02 21:02
- 46.8 KB
- t3_compositionlineinput.png
- 482×388
- 2023/08/02 20:20
- 29.8 KB
- t3_compositionlineinput2.png
- 484×391
- 2023/08/02 20:59
- 30 KB
- t3_compositionlinestart.png
- 939×486
- 2023/08/02 20:15
- 68.3 KB
- tadftutorial.zip
- 2019/12/18 21:39
- 12.5 KB
- tadf_4czipn.png
- 1482×1332
- 2019/08/28 12:26
- 831.3 KB
- tadf_ctdescriptors.png
- 1071×422
- 2019/08/28 16:54
- 53.7 KB
- tadf_excitedstatesenergies.png
- 1396×262
- 2019/08/28 16:38
- 92.1 KB
- tadf_franckcondon.png
- 1230×589
- 2019/08/29 13:43
- 97.7 KB
- tadf_marcus.png
- 1294×675
- 2019/08/29 13:03
- 53.6 KB
- tadf_optimize_socme_minimize_st.png
- 698×474
- 2018/03/09 17:31
- 115.4 KB
- tadf_socmetable.png
- 936×505
- 2019/08/29 12:43
- 60.8 KB
- tadf_spinstatisticsexitons.png
- 1335×1085
- 2019/08/26 11:31
- 51.1 KB
- tadf_spinstatisticsexitonsisc.png
- 1335×1085
- 2019/08/26 12:04
- 54.8 KB
- tadf_spinstatisticsexitonstadf.png
- 1335×1085
- 2019/08/26 14:49
- 54.4 KB
- tadf_verticalabsorption.png
- 949×633
- 2019/08/28 17:36
- 109.8 KB
- tasksubmit01.jpg
- 1223×859
- 2020/07/08 20:50
- 72.3 KB
- tasksubmit01.png
- 887×612
- 2020/11/14 10:39
- 46.7 KB
- tasksubmit02.jpg
- 906×919
- 2020/07/08 20:51
- 72.1 KB
- tasksubmit02.png
- 1009×615
- 2020/11/14 10:39
- 40.9 KB
- tasksubmit03.png
- 1071×622
- 2020/07/08 21:06
- 72.6 KB
- tccdft01.png
- 1419×856
- 2020/11/30 20:45
- 142.2 KB
- tccdft02.png
- 1418×859
- 2020/11/30 20:45
- 137.7 KB
- tccdft02_2.png
- 1422×857
- 2020/11/30 20:45
- 140.9 KB
- tccdft02_3.png
- 1419×864
- 2020/11/30 20:45
- 90.3 KB
- tdcdft01.jpg
- 620×352
- 2017/05/28 00:32
- 29.9 KB
- tdcdft02.jpg
- 620×352
- 2017/05/28 00:32
- 29.8 KB
- tdcdft02.png
- 1045×606
- 2017/05/28 00:34
- 143.3 KB
- tdcdft03.jpg
- 620×370
- 2017/05/28 00:32
- 24.9 KB
- tdcdft03.png
- 1373×871
- 2020/11/30 21:15
- 61.8 KB
- testss.jpg
- 470×758
- 2022/10/06 21:31
- 102.8 KB
- tmpreaxff.png
- 1802×1008
- 2016/07/06 00:24
- 253.5 KB
- tmvlelle01.png
- 1478×786
- 2020/11/27 21:54
- 176.7 KB
- tmvlelle02.png
- 1474×764
- 2020/11/27 21:54
- 177.2 KB
- tmvlelle03.png
- 1474×775
- 2020/11/27 21:54
- 184.4 KB
- tmvlelle04.png
- 1478×776
- 2020/11/27 21:54
- 180.2 KB
- tmvlelle05.png
- 479×292
- 2020/11/27 22:02
- 23.6 KB
- tmvlelle06.png
- 765×448
- 2020/11/27 22:02
- 28.6 KB
- tmvlelle07.png
- 811×447
- 2020/11/27 22:02
- 54.8 KB
- tmvlelle08.png
- 1688×873
- 2020/11/27 22:16
- 290 KB
- tmvlelle09.png
- 1165×518
- 2020/11/27 22:17
- 49.7 KB
- tmvlelle10.png
- 480×287
- 2020/11/27 22:20
- 23.3 KB
- tmvlelle11.png
- 811×449
- 2020/11/27 22:21
- 34.4 KB
- tmvlelle12.png
- 1168×526
- 2020/11/27 22:39
- 48 KB
- tnopt01.png
- 777×484
- 2015/09/27 11:27
- 24.5 KB
- tnopt02.png
- 774×485
- 2015/09/27 11:31
- 25 KB
- tnopt03.png
- 775×483
- 2015/09/27 11:31
- 22.9 KB
- tnopt04.png
- 774×486
- 2015/09/27 11:48
- 21.5 KB
- tnopt05.png
- 506×1002
- 2016/01/06 15:37
- 39.7 KB
- tnopt06.png
- 754×558
- 2015/09/27 11:47
- 24.5 KB
- tnopt07.png
- 774×482
- 2015/09/27 11:58
- 24.9 KB
- tnopt08.png
- 777×482
- 2015/09/27 11:58
- 22.9 KB
- tnopt09.png
- 776×485
- 2015/09/27 11:58
- 20.7 KB
- tnopt10.png
- 715×585
- 2015/09/27 12:18
- 39.8 KB
- tnopt11.png
- 661×3241
- 2016/01/06 15:37
- 186.3 KB
- tnopt12.png
- 715×381
- 2015/09/27 12:23
- 18.4 KB
- tocpic.png
- 1308×742
- 2023/12/27 14:50
- 188.7 KB
- toluene_sp.rar
- 2024/03/22 16:48
- 652 B
- tpa01.png
- 1395×751
- 2020/12/01 15:00
- 164.6 KB
- tpa02.png
- 1402×750
- 2020/12/01 15:00
- 168.4 KB
- tpa03.png
- 455×360
- 2020/02/26 11:50
- 11.5 KB
- tpa04.png
- 699×524
- 2020/02/23 22:33
- 65.6 KB
- tpa06.png
- 376×247
- 2020/02/26 12:02
- 8.3 KB
- tpaof1-nh2.rar
- 2020/02/25 11:38
- 451.8 KB
- trace001.png
- 1783×971
- 2024/03/03 21:14
- 322 KB
- trace002.png
- 1818×971
- 2024/03/03 21:17
- 375.9 KB
- trace003.png
- 451×252
- 2024/03/03 21:18
- 23.8 KB
- trace004.png
- 1792×941
- 2024/03/03 21:19
- 383 KB
- transdip01.png
- 2649×1089
- 2018/05/04 11:57
- 295.3 KB
- transferint01.jpg
- 1012×680
- 2014/11/29 00:45
- 93.2 KB
- transferint02.jpg
- 1009×679
- 2014/11/29 00:37
- 104.9 KB
- transferint03.jpg
- 1012×677
- 2014/11/29 00:38
- 87.5 KB
- transferint04.jpg
- 1011×677
- 2014/11/29 01:02
- 111.6 KB
- transferint05.jpg
- 1012×677
- 2014/11/29 01:03
- 81.5 KB
- transferint06.jpg
- 1010×677
- 2014/11/29 01:03
- 88.2 KB
- transferint07.jpg
- 1012×677
- 2014/11/29 01:04
- 104.5 KB
- transferint08.jpg
- 1012×677
- 2014/11/29 01:04
- 101.2 KB
- transferint09.jpg
- 1010×678
- 2014/11/29 01:10
- 101.1 KB
- transferint10.jpg
- 1012×679
- 2014/11/29 01:13
- 123.3 KB
- transferint11.jpg
- 1011×677
- 2014/11/29 01:13
- 109.6 KB
- transferint12.jpg
- 1016×705
- 2014/11/29 01:17
- 166.3 KB
- transferint13.jpg
- 1016×711
- 2014/11/29 01:17
- 205.2 KB
- transferint14.jpg
- 481×276
- 2015/04/11 17:09
- 34.4 KB
- trestrictedo201.png
- 1800×1250
- 2016/06/06 13:45
- 74.2 KB
- trestrictedo202.png
- 2100×1350
- 2016/06/06 13:45
- 117.6 KB
- trestrictedo203.png
- 1800×1250
- 2016/06/06 13:48
- 72 KB
- trmperatureprofile01.png
- 920×554
- 2022/03/05 20:58
- 149.3 KB
- trmperatureprofile02.png
- 913×554
- 2022/03/05 21:09
- 180.9 KB
- trmperatureprofile03.png
- 915×558
- 2022/03/05 21:09
- 180.5 KB
- trmperatureprofile04.png
- 989×969
- 2022/03/05 21:27
- 49.8 KB
- trmperatureprofile05.png
- 922×558
- 2022/03/05 21:41
- 144.4 KB
- tss001.jpeg
- 1431×768
- 2018/12/18 16:59
- 94.1 KB
- tss002.jpeg
- 1517×725
- 2018/12/18 17:10
- 94.5 KB
- tss002.png
- 1357×718
- 2019/12/04 17:03
- 138 KB
- tss003.jpeg
- 1517×725
- 2018/12/18 17:10
- 95.4 KB
- tss003.png
- 1353×718
- 2019/12/04 17:03
- 147.4 KB
- tss004.png
- 1352×715
- 2019/12/04 17:11
- 133 KB
- tss005.png
- 1354×716
- 2019/12/04 17:20
- 111.6 KB
- tss006.png
- 1353×718
- 2019/12/04 16:43
- 138.9 KB
- tss01.png
- 643×776
- 2019/12/04 14:59
- 67.7 KB
- tss02.png
- 637×777
- 2019/12/04 14:59
- 55.2 KB
- tss03.png
- 1355×714
- 2019/12/04 15:05
- 122.8 KB
- tss04.png
- 1358×706
- 2019/12/04 15:05
- 119.6 KB
- tss05.png
- 1446×710
- 2019/12/04 16:00
- 196 KB
- tss06.png
- 827×435
- 2015/03/12 11:17
- 27.4 KB
- tss07.png
- 1022×642
- 2019/12/04 16:51
- 73.4 KB
- tss08.png
- 1425×760
- 2019/12/04 16:53
- 143.8 KB
- tss09.png
- 1010×450
- 2015/03/12 02:32
- 39.8 KB
- tss10.png
- 780×374
- 2015/03/12 02:47
- 23.3 KB
- tss11.png
- 778×375
- 2015/03/12 02:47
- 22.8 KB
- tuningrangeseparation.rar
- 2023/09/13 17:12
- 1.9 KB
- tut004_fig01.2.png
- 575×1264
- 2024/01/19 20:10
- 107.8 KB
- tut004_fig01.3.png
- 813×1263
- 2024/01/23 17:16
- 138.7 KB
- tut004_fig01.4.png
- 1071×320
- 2024/01/23 17:41
- 39.1 KB
- tut004_fig01.5.png
- 1051×278
- 2024/01/23 18:47
- 41.6 KB
- tut004_fig01.6.png
- 1062×1250
- 2024/01/23 19:03
- 151 KB
- tut004_fig01.png
- 1750×408
- 2024/01/19 20:06
- 50.7 KB
- tz2p0２.png
- 568×627
- 2019/11/18 14:00
- 87.4 KB
- tz2p01.png
- 553×632
- 2019/11/18 14:00
- 37.9 KB
- uffsinglepoint01.png
- 1414×789
- 2020/11/27 18:35
- 442.2 KB
- uffsinglepoint02.png
- 1571×855
- 2020/11/27 18:35
- 390.9 KB
- unifac01.png
- 593×272
- 2022/11/06 16:50
- 9.7 KB
- unifac02.png
- 572×272
- 2022/11/06 16:50
- 9.1 KB
- unitelastictenso_06-19-15-22-52_.png
- 1479×483
- 2023/06/19 15:25
- 76.4 KB
- unres01.jpg
- 814×676
- 2015/04/13 17:23
- 87.7 KB
- unres02.jpg
- 815×675
- 2015/04/13 17:27
- 98.1 KB
- unres03.jpg
- 606×720
- 2015/04/13 17:24
- 66.2 KB
- unres04.jpg
- 614×631
- 2015/04/13 17:27
- 91.6 KB
- unrestrictedfrag01.png
- 1653×828
- 2019/08/17 19:14
- 360.5 KB
- unrestrictedfrag02.png
- 1652×820
- 2019/08/17 19:14
- 316.2 KB
- unrestrictedfrag03.png
- 1652×824
- 2019/08/17 19:14
- 340.3 KB
- unrestrictedfrag04.png
- 1650×826
- 2019/08/17 19:14
- 347.1 KB
- unrestrictedfrag05.png
- 1833×740
- 2019/08/17 19:14
- 135 KB
- unrestrictedfrag06.png
- 1571×1069
- 2019/08/17 19:24
- 157 KB
- unrestrictedfrag07.png
- 871×1106
- 2019/08/17 19:40
- 459.1 KB
- unrestrictedfrag08.png
- 545×529
- 2019/08/17 19:40
- 248.5 KB
- unrestrictedfrag09.png
- 1655×820
- 2019/08/17 19:51
- 344 KB
- unrestrictedfragmento2h2_01.png
- 1048×543
- 2017/05/21 10:29
- 95.7 KB
- unrestrictedfragmento2h2_02.png
- 1048×543
- 2017/05/21 10:29
- 124.9 KB
- unrestrictedfragmento2h2_03.png
- 1048×543
- 2017/05/21 10:29
- 104.1 KB
- unrestrictedfragmento2h2_04.png
- 1048×543
- 2017/05/21 10:29
- 100.6 KB
- unrestrictedfragmento2h2_05.png
- 1048×543
- 2017/05/21 10:29
- 101 KB
- unrestrictedfragmento2h2_06.png
- 701×581
- 2017/05/21 10:29
- 247.6 KB
- unrestrictedfragmento2h2_07.png
- 756×916
- 2017/05/21 10:29
- 191.5 KB
- unrestrictedfragmento2h2_08.png
- 756×910
- 2017/05/21 10:29
- 199.9 KB
- unrestrictedopenshelleda01.png
- 1049×546
- 2017/05/20 23:50
- 136 KB
- unrestrictedopenshelleda02.png
- 1049×546
- 2017/05/20 23:50
- 164.7 KB
- unrestrictedopenshelleda04.png
- 1049×546
- 2017/05/20 23:50
- 145.6 KB
- unrestrictedopenshelleda05.png
- 1049×546
- 2017/05/20 23:50
- 141.5 KB
- unrestrictedopenshelleda06.png
- 1049×546
- 2017/05/20 23:50
- 186.9 KB
- unrestrictedopenshelleda07.png
- 420×131
- 2017/05/20 23:50
- 23.4 KB
- unrestrictedopenshelleda08.png
- 552×644
- 2017/05/21 00:39
- 104.8 KB
- unrestrictedopenshelleda09.png
- 582×744
- 2017/05/21 00:39
- 203.1 KB
- unrestrictedopenshelleda10.png
- 582×737
- 2017/05/21 00:39
- 199.2 KB
- unrestrictedopenshelleda11.png
- 582×418
- 2017/05/21 01:01
- 86.7 KB
- uranyl-water-splitting.png
- 741×656
- 2020/07/07 22:46
- 200.5 KB
- u_4153786007_3486316308_fm_58.jpg
- 121×121
- 2015/10/15 12:24
- 3.9 KB
- valuealongline01.png
- 1363×651
- 2020/12/01 18:49
- 151.4 KB
- valuealongline02.png
- 1287×787
- 2020/12/01 18:52
- 312.2 KB
- valuealongline03.png
- 1295×787
- 2020/12/01 18:55
- 308.3 KB
- valuealongline_band01.png
- 1566×911
- 2020/12/02 18:23
- 139.3 KB
- valuealongline_band02.png
- 1570×900
- 2020/12/02 18:23
- 134.9 KB
- valuealongline_band03.png
- 1417×894
- 2019/12/09 22:18
- 113.9 KB
- valuealongline_band04.png
- 577×944
- 2018/05/08 20:24
- 163.2 KB
- valuealongline_band05.png
- 1567×905
- 2020/12/02 18:23
- 129.3 KB
- valuealongline_band98.png
- 1087×736
- 2020/12/02 19:04
- 324 KB
- valuealongline_band99.png
- 1223×756
- 2020/12/02 19:01
- 131.4 KB
- valueofband202401.png
- 1622×981
- 2024/05/29 23:32
- 246 KB
- valueofband202402.png
- 1628×984
- 2024/05/29 23:49
- 225.1 KB
- valueofband202403.png
- 1543×1007
- 2024/05/29 23:49
- 309.4 KB
- valueofband202404.png
- 2035×1007
- 2024/05/30 00:24
- 281.3 KB
- vandervaasrssurface01.png
- 1482×947
- 2023/06/14 15:38
- 428.4 KB
- vandervaasrssurfaceband01.png
- 1458×925
- 2023/06/14 15:34
- 479.6 KB
- vapor01.png
- 481×326
- 2016/05/04 19:02
- 17.6 KB
- vapor02.png
- 2296×1316
- 2016/05/04 19:09
- 176.2 KB
- vaporpressure01.png
- 1699×963
- 2020/11/27 21:09
- 233.6 KB
- vaporpressure02.png
- 836×375
- 2020/05/29 20:14
- 14.5 KB
- vcd01.png
- 1374×737
- 2019/12/07 11:15
- 155.4 KB
- vcd02.png
- 1370×735
- 2019/12/07 11:15
- 124.4 KB
- vcd03.png
- 1470×931
- 2019/12/07 11:15
- 226.7 KB
- vcd04.png
- 1477×929
- 2019/12/07 11:15
- 249.4 KB
- vcd05.png
- 1356×974
- 2016/08/04 13:15
- 306.4 KB
- vertualcrystal01.png
- 1363×975
- 2023/07/23 18:02
- 199.5 KB
- vertualcrystal02.png
- 1357×975
- 2023/07/23 18:02
- 192.2 KB
- vertualcrystal03.png
- 1358×975
- 2023/07/23 18:02
- 184.5 KB
- vertualcrystal04.png
- 1359×977
- 2023/07/23 18:02
- 222.3 KB
- view-trans01.png
- 892×776
- 2019/12/05 18:39
- 131.4 KB
- view-trans02.png
- 890×629
- 2019/12/05 18:39
- 124.9 KB
- view01.jpg
- 345×279
- 2015/05/27 09:34
- 68.4 KB
- view01.png
- 996×504
- 2016/02/26 17:43
- 49.4 KB
- view02.jpg
- 295×311
- 2015/05/27 09:34
- 29.2 KB
- view03.jpg
- 384×347
- 2015/05/27 09:34
- 45 KB
- view04.jpg
- 278×314
- 2015/05/27 09:34
- 28.4 KB
- viewinmovie01.png
- 894×973
- 2019/12/03 19:15
- 395.1 KB
- viewinmovie02.png
- 1285×1057
- 2019/12/03 19:20
- 389.9 KB
- viscosity00.png
- 297×65
- 2022/02/16 21:43
- 3.3 KB
- viscosity0002.png
- 1939×860
- 2023/04/24 17:01
- 184.1 KB
- viscosity0003.png
- 1706×920
- 2023/04/24 17:27
- 154.8 KB
- viscosity01.png
- 953×555
- 2022/02/16 20:43
- 73.2 KB
- viscosity02.png
- 957×556
- 2022/02/16 20:43
- 72.7 KB
- viscosity03.png
- 939×554
- 2022/02/16 22:45
- 80.8 KB
- viscosity04.png
- 955×555
- 2022/02/16 20:43
- 73 KB
- viscosity05.png
- 954×560
- 2022/02/16 20:43
- 71.1 KB
- viscosity06.png
- 1767×632
- 2022/02/16 23:15
- 147.7 KB
- viscosity07.png
- 1195×625
- 2022/02/16 23:15
- 120.8 KB
- viscosity_extractor.rar
- 2023/11/18 14:29
- 1.7 KB
- visositybyapplep01.png
- 1573×961
- 2023/11/18 13:05
- 426.8 KB
- visositybyapplep02.png
- 1574×968
- 2023/11/18 13:15
- 393.2 KB
- visositybyapplep03.png
- 1580×972
- 2023/11/18 13:15
- 368.2 KB
- visositybyapplep04.png
- 1569×1276
- 2023/11/18 13:21
- 649.4 KB
- visositybyapplep05.png
- 1576×955
- 2023/11/18 13:29
- 387.7 KB
- visositybyapplep06.png
- 1577×1191
- 2023/11/18 13:29
- 569.9 KB
- visositybyapplep07.png
- 1577×1182
- 2023/11/18 13:29
- 563 KB
- visositybyapplep08.png
- 2610×1534
- 2023/11/18 13:35
- 1.1 MB
- visositybyapplep09.png
- 2610×1532
- 2023/11/18 13:50
- 1.1 MB
- visositybyapplep10.png
- 1579×1186
- 2023/11/18 14:05
- 564.2 KB
- visositybyapplep11.png
- 1565×1172
- 2023/11/18 14:05
- 533.1 KB
- visositybyapplep12.png
- 1254×747
- 2023/11/18 14:10
- 453.7 KB
- visositybyapplep13.png
- 1720×861
- 2023/11/18 14:34
- 86.6 KB
- visositybyapplep14.png
- 460×345
- 2023/11/18 14:38
- 25 KB
- visositybyapplep15.png
- 460×345
- 2023/11/18 14:39
- 21.7 KB
- vle01.png
- 477×264
- 2016/05/04 19:20
- 21.7 KB
- vle02.png
- 680×351
- 2016/05/04 19:30
- 21.7 KB
- vle03.png
- 896×887
- 2016/05/04 19:31
- 105.9 KB
- vle04.png
- 856×316
- 2016/05/04 19:35
- 22.1 KB
- vle05.png
- 1274×468
- 2016/05/04 19:42
- 28.5 KB
- vres01.png
- 1381×767
- 2020/02/06 13:05
- 168 KB
- vres02.png
- 1379×765
- 2020/02/06 13:11
- 163 KB
- vres03.png
- 1378×768
- 2020/02/06 13:11
- 131.1 KB
- vres04.png
- 1377×767
- 2020/02/06 13:11
- 182.4 KB
- vres05.png
- 1377×766
- 2020/02/06 13:11
- 159.2 KB
- vres06.png
- 1377×768
- 2020/02/06 13:24
- 167.1 KB
- vres07.png
- 1413×769
- 2020/02/06 13:24
- 167.4 KB
- vres08.png
- 1415×765
- 2020/02/06 13:24
- 132.6 KB
- vres09.png
- 1413×768
- 2020/02/06 13:24
- 159.5 KB
- vres10.png
- 1181×778
- 2020/02/06 13:41
- 75.7 KB
- wfband001.jpg
- 1473×968
- 2023/11/05 17:24
- 149.9 KB
- wfband002.jpg
- 1474×968
- 2023/11/05 17:24
- 150 KB
- wfband003.jpg
- 1472×959
- 2023/11/05 17:24
- 131.2 KB
- wfband004.jpg
- 1472×963
- 2023/11/05 17:34
- 118.9 KB
- wfband005.jpg
- 1056×206
- 2023/11/05 17:37
- 41.6 KB
- whatsnewams2023-aguirre.pdf
- 2023/04/24 16:43
- 670.4 KB
- workfunctionvacuumandinterface.rar
- 2023/11/05 17:26
- 2.3 KB
- wrongregion.png
- 479×184
- 2018/11/19 19:36
- 11.1 KB
- wt.png
- 162×104
- 2016/02/19 16:23
- 11 KB
- xes01.png
- 1362×747
- 2019/12/08 19:18
- 176.4 KB
- xes02.png
- 1361×750
- 2019/12/08 19:18
- 197.1 KB
- xes03.png
- 1362×749
- 2019/12/08 19:18
- 236.8 KB
- xes04.png
- 1365×750
- 2019/12/08 19:18
- 225.1 KB
- xes05.png
- 1348×930
- 2019/12/08 19:18
- 55 KB
- xes06.png
- 1363×744
- 2019/12/08 19:35
- 163.1 KB
- xes07.png
- 1360×737
- 2019/12/08 19:35
- 144 KB
- xes08.png
- 1356×748
- 2019/12/08 19:35
- 188 KB
- xes09.png
- 1361×744
- 2019/12/08 19:35
- 181.9 KB
- xes10.png
- 1143×808
- 2019/12/08 19:35
- 106.7 KB
- xps01.png
- 491×550
- 2019/03/27 13:25
- 80.1 KB
- xps02.png
- 1344×725
- 2019/12/08 21:34
- 162.6 KB
- xps03.png
- 1348×687
- 2020/12/02 14:31
- 139.2 KB
- xps04.png
- 1352×693
- 2020/12/02 14:32
- 182.7 KB
- xps05.png
- 1346×730
- 2019/12/08 21:44
- 163.2 KB
- xps06.png
- 1350×731
- 2019/12/08 21:44
- 136 KB
- xps07.png
- 1351×898
- 2020/12/02 14:32
- 85.2 KB
- xpsofband01.png
- 917×600
- 2022/03/05 19:46
- 63.8 KB
- xpsofband02.png
- 917×600
- 2022/03/05 19:46
- 57.2 KB
- xpsofband03.png
- 918×709
- 2022/03/05 19:46
- 83.1 KB
- xrayexcitation01.png
- 903×494
- 2017/03/23 12:59
- 105.4 KB
- xrayexcitation02.png
- 1362×742
- 2019/12/08 18:59
- 136.4 KB
- xrayexcitation03.png
- 1361×748
- 2019/12/08 18:59
- 127.3 KB
- xrayexcitation04.png
- 1046×810
- 2019/12/08 18:59
- 85.7 KB
- xrayexcitation05.png
- 676×505
- 2017/03/23 12:59
- 47.8 KB
- xrayexcitation06.png
- 676×505
- 2017/03/23 12:59
- 54 KB
- xrayexcitation07.png
- 676×505
- 2017/03/23 12:59
- 54.4 KB
- xrd01.png
- 1658×1174
- 2024/05/12 15:44
- 191.1 KB
- xrd02.png
- 3200×1600
- 2024/05/12 15:49
- 53.1 KB
- xrd03.png
- 1655×1007
- 2024/05/12 15:51
- 151.1 KB
- yongsmodulus01.png
- 1920×982
- 2023/04/23 14:27
- 645.9 KB
- yongsmodulus02.png
- 715×879
- 2023/04/23 14:27
- 80.1 KB
- yongsmodulus03.png
- 721×582
- 2023/04/23 14:27
- 62.3 KB
- yongsmodulus04.png
- 715×494
- 2023/04/23 14:27
- 47.8 KB
- yongsmodulus05.png
- 723×758
- 2023/04/23 14:27
- 83.4 KB
- yongsmodulus06.png
- 717×783
- 2023/04/23 14:27
- 75.7 KB
- yongsmodulus07.png
- 1200×633
- 2023/04/23 14:27
- 266.3 KB
- yongsmodulus08.png
- 967×436
- 2023/04/23 14:27
- 23.9 KB
- yongsmodulus09.png
- 1200×633
- 2023/04/23 14:27
- 283.4 KB
- yqkz.rar
- 2021/12/03 13:46
- 687.8 KB
- zacros_post_species_numbers.png
- 650×516
- 2024/01/23 21:39
- 29.2 KB
- zacros_tutorial.rar
- 2024/01/23 19:15
- 1.3 KB
- zfs01.png
- 481×441
- 2017/03/04 01:51
- 51.8 KB
- zfs02.png
- 720×645
- 2019/12/08 16:58
- 46.4 KB
- zno_wurtzite_unaligned.png
- 1086×531
- 2024/02/07 15:01
- 78.1 KB
- zno_wurtzite_unaligned02.png
- 517×284
- 2024/02/07 15:52
- 15.9 KB
- zno_wurtzite_unaligned03.png
- 1130×501
- 2024/02/07 16:26
- 40 KB
- zno_wurtzite_unaligned04.png
- 980×234
- 2024/02/07 16:40
- 153.9 KB
- zno_wurtzite_unaligned05.png
- 373×522
- 2024/02/07 18:28
- 118.9 KB
- zno_wurtzite_unaligned06.png
- 956×489
- 2024/02/08 10:03
- 109.4 KB
- zno_wurtzite_unaligned07.png
- 949×490
- 2024/02/08 10:03
- 140.9 KB
- zno_wurtzite_unaligned08.png
- 805×492
- 2024/02/08 10:31
- 122.8 KB
- zno_wurtzite_unaligned09.png
- 794×492
- 2024/02/08 10:31
- 122.8 KB
- znpc01.jpg
- 2060×2132
- 2014/09/24 00:36
- 355.9 KB
- znpc02.jpg
- 1011×679
- 2014/09/23 22:47
- 77.2 KB
- znpc03.jpg
- 406×400
- 2014/09/23 22:47
- 17.3 KB
- znpc04.jpg
- 428×263
- 2014/09/23 22:47
- 32.5 KB
- znpc05.jpg
- 523×668
- 2014/09/23 22:47
- 38.5 KB
- znpc06.jpg
- 522×664
- 2014/09/23 22:47
- 44.7 KB
- znpc07.jpg
- 1011×679
- 2014/09/23 22:47
- 77.2 KB
- znpc08.jpg
- 486×629
- 2014/09/23 22:47
- 45.8 KB
- znpc09.jpg
- 486×626
- 2014/09/23 22:47
- 41.2 KB
- znpc10.jpg
- 462×718
- 2014/09/23 22:47
- 42.8 KB
- znpc11.jpg
- 1010×674
- 2014/09/23 22:47
- 105.5 KB
- znpc12.jpg
- 914×628
- 2014/09/23 22:47
- 107.6 KB
- znpc13.jpg
- 916×628
- 2014/09/23 22:47
- 112.4 KB
- znpc14.jpg
- 226×257
- 2014/09/23 22:47
- 16.4 KB
- znpc15.jpg
- 709×659
- 2014/09/23 22:47
- 37.5 KB
- znpc16.jpg
- 964×430
- 2014/09/23 22:47
- 81.7 KB
- znpc17.jpg
- 614×657
- 2014/09/23 22:47
- 129.8 KB
- znpc18.jpg
- 958×650
- 2014/09/23 22:47
- 142.8 KB
- znpc19.jpg
- 252×171
- 2014/09/23 22:58
- 13.4 KB
- znpc20.jpg
- 1025×728
- 2014/11/04 20:52
- 215.4 KB
- znpc21.jpg
- 1011×679
- 2014/11/04 20:54
- 104 KB
- znpc22.jpg
- 1009×678
- 2014/11/04 20:54
- 109.6 KB
- znpc23.jpg
- 485×679
- 2014/11/04 20:57
- 56.9 KB
- znpc24.jpg
- 480×310
- 2014/11/04 20:57
- 29.9 KB
- znpc25.jpg
- 337×503
- 2014/11/04 21:01
- 40.1 KB
- znpc26.jpg
- 1093×568
- 2014/11/04 21:02
- 74.9 KB
- znpc27.jpg
- 382×570
- 2014/11/04 21:02
- 43.9 KB
- znpc28.jpg
- 843×569
- 2014/11/04 21:03
- 130.5 KB
- znpc28.png
- 845×570
- 2017/04/04 21:09
- 302.1 KB
- znpc29.jpg
- 916×626
- 2014/11/04 21:04
- 148.3 KB
- znpc29.png
- 910×622
- 2017/04/04 21:06
- 443.7 KB
- znpc30.jpg
- 1086×337
- 2014/11/04 21:05
- 98 KB
- znpc31.jpg
- 1010×680
- 2014/11/04 21:06
- 95 KB
- znpc32.jpg
- 385×332
- 2014/11/04 21:07
- 29.2 KB
- znpc33.jpg
- 440×193
- 2014/11/04 21:07
- 20.9 KB
- znpc34.jpg
- 378×290
- 2014/11/04 21:07
- 24.5 KB
- znpc35.jpg
- 1705×725
- 2020/12/01 19:54
- 175.7 KB
- znpc36.jpg
- 1009×680
- 2014/11/04 21:09
- 96.1 KB
- znpc37.jpg
- 359×311
- 2014/11/04 21:10
- 28.7 KB
- znpc38.jpg
- 413×189
- 2014/11/04 21:10
- 20.5 KB
- znpc39.jpg
- 550×570
- 2014/11/04 21:11
- 56.2 KB
- znpc40.jpg
- 839×570
- 2014/11/04 21:11
- 87 KB
- znpc41.jpg
- 431×377
- 2014/11/04 21:13
- 38.2 KB
- znpc399.png
- 1375×720
- 2019/12/08 14:09
- 117.5 KB
- znpc400.png
- 1373×715
- 2019/12/08 14:21
- 127.9 KB
- 使用ams中的cosmo-rs优化液液萃取溶剂..mp4
- 2022/04/28 10:51
- 17.4 MB
- 使用ams中的cosmo-rs优化液液萃取溶剂.mp4
- 2022/04/25 18:55
- 17.8 MB
- 使用ams中的qsgw方法精确计算ip_ea.mp4
- 2022/04/25 18:55
- 15 MB
- 使用ams训练reaxff力场.mp4
- 2022/04/25 18:55
- 28.6 MB
- 图片1.png
- 693×511
- 2021/03/27 21:20
- 75.6 KB
- 图片2.png
- 612×394
- 2015/10/15 12:31
- 7.5 KB
- 微信图片_20200402152341.jpg
- 700×693
- 2020/04/02 15:29
- 110.9 KB
- 微信图片_20230817201318.png
- 767×983
- 2023/08/17 20:13
- 109.8 KB
- 微信图片_20240412093240.png
- 1023×1126
- 2024/04/12 09:32
- 184.6 KB
- 微信图片_20240514162818.png
- 645×319
- 2024/05/14 16:28
- 62.5 KB
- 无标题-1536x636.png
- 1536×636
- 2024/05/27 10:03
- 532.6 KB
- 无标题.png
- 797×268
- 2016/01/28 23:57
- 20.1 KB
- 极化率与介电常数的关系.jpg
- 641×183
- 2019/11/27 21:31
- 38.5 KB
- 模型.mp4
- 2022/09/27 18:21
- 53.7 MB
- 用ams快速识别过渡态.mp4
- 2022/04/25 18:55
- 17.1 MB
- 统计产物元素来源.mp4
- 2022/05/24 19:24
- 40.4 MB
- 药物共晶预测-使用cosmo-sac方法预测能否形成共晶.mp4
- 2021/11/05 15:01
- 152.2 MB
- 高对称体系建模.mp4
- 2020/12/28 12:55
- 64.7 MB
文件
- 查看
- 历史
![[根目录]](/wiki/doku.php?id=atk:quantumatk%E5%B9%B3%E9%9D%A2%E6%B3%A2dft%E8%AE%A1%E7%AE%97%E5%BC%95%E6%93%8E%E4%BB%8B%E7%BB%8D&ns=&tab_files=files&do=media&tab_details=view&image=adf%3A2020bondoder01.png){kind=link}
atk/quantumatk平面波dft计算引擎介绍.txt · 最后更改: 2019/11/26 20:57 由 xie.congwei