adf:如何处理冗余的动力学步数

媒体管理器

命名空间

选择命名空间

[根目录]
- adf
- atk
- co
- sw
- undefined
- wiki

媒体文件
上传
搜索

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

查看
历史

adf:ilforliquidsolute.rar

日期:: 2023/08/08 14:14
名称:: ilforliquidsolute.rar
大小:: 1MB

相关的:: 溶剂筛选：批量筛选液体溶质的离子液体溶剂

adf/如何处理冗余的动力学步数.txt · 最后更改: 2015/11/20 16:00 由 liu.jun

© 2014-2022 费米科技（京ICP备14023855号）