adf:analysis

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--- adf:analysis [2018/02/08 21:06] – liu.jun
+++ adf:analysis [2023/08/06 14:20] (当前版本) – liu.jun
@@ 行 1: / 行 1: @@
-======波函数分析、构效关系、成键分析相关[目录]======
+~~NOTOC~~
+======波函数分析、构效关系、成键分析[目录]======
 <WRAP group>
 <WRAP half column>
 =====分子与团簇=====
-  * [[adf:homolumo]]
+====波函数分析====
-  * [[adf:eledensity]]
+  * [[adf:homolumo2020]]
-  * [[adf:spin-density]]
+  * [[adf:eledensity2020]]
-  * [[adf:nboaim]]
+  * [[adf:spin-density2020]]
-  * [[adf:naturalbondorbitalanalysis]]
+  * [[adf:nci2020]]
-  * [[adf:nbos]]
+  * [[adf:analysiswithNBO2020]]
-  * [[adf:rho]]
+  * [[adf:elfatbcps2020]]
-  * [[adf:chargeinaminoacid]]
+  * [[adf:bsse2020]]
-  * [[adf:bsse]]
   * [[adf:elf]]
   * [[adf:densitylaplace]]
   * [[adf:aromaticity]]
   * [[adf:bondpath]]
-  * [[adf:spinor]]
+  * [[adf:spinor2020]]
-  * [[adf:potential]]
+  * [[adf:potential2020]]
-  * [[adf:atomiccharge]]
+  * [[adf:atomiccharge2020]]
   * [[adf:bondingenergy]]
-  * [[adf:bondoder]]
+  * [[adf:bondoder2020]]
+  * [[adf:fukui2020]]
   * [[adf:dipolemoment]]
   * [[adf:inductionforce]]
-  * [[adf:electrondensityatnuclei]]
+  * [[adf:densityatneuc2020]]
-  * [[adf:freqdependentpolar]]
+  * [[adf:cddofexcitedstate2020]]
-  * [[adf:cddofexcitedstate]]
   * [[adf:nto]]
-  * [[adf:socmatrix]]
+  * [[adf:socmatrix2020]]
-  * [[adf:exciteddipolemoment]]
+  * [[adf:exciteddipolemoment2020]]
+  * [[adf:elfatbcps2020]]
+  * [[adf:valuealongline2020]]
 ====分子碎片分析====
-  * [[adf:cddofgs]]
+  * [[adf:cddofgs2020]]
-  * [[adf:openshellfragmentanalysis]]
+  * [[adf:openshellftagmentanalysis_new2020]]
-  * [[adf:cda]]
+  * [[adf:cda2020]]
-  * [[adf:nocv_adf]]
+  * [[adf:nocv_adf2020]]
-  * [[adf:nocv-disdinguishbonding]]
+  * [[adf:nocv-disdinguishbonding2020]]
   * [[adf:nd-waters]]
   * [[adf:accurateeda-nocvforopenshell_o2-h2]]
@@ 行 40: / 行 43: @@
   * [[adf:sfo-overlap]]
   * [[adf:etsnocvpaper]]
-  * [[adf:elfatbcps]]
 </WRAP>
 <WRAP half column>
 =====周期性体系=====
+====波函数分析====
+  * [[adf:bsdosorbital]]
+  * [[adf:tdcdft]]
   * [[adf:mosbauer]]
-  * [[adf:aimcharge]]
+  * [[adf:chargeinaminoacid2020]]
   * [[adf:partialcharge]]
   * [[adf:bondpath_cps]]
   * [[adf:colpotential]]
   * [[adf:mullikenpopulation]]
+  * [[adf:valuealongline_band2020]]
+  * [[adf:aimforchargetransfor]]
+====碎片分析====
+  * [[adf:fragmentanalysis2020]]
+  * [[adf:openshellftagmentanalysis_new2020]]
+  * [[adf:nocv-disdinguishbonding2020]]
+  * [[adf:NOCV_ADF2020]]
   * [[adf:1d-peda]]
   * [[adf:2d-peda]]
@@ 行 56: / 行 70: @@
   * [[adf:peda-nocv-polymer]]
   * [[adf:peda-nocv-surface]]
-  * [[adf:bsdosorbital]]
-  * [[adf:tdcdft]]
 </WRAP>
 </WRAP>

adf/analysis.1518095180.txt.gz · 最后更改: 2018/02/08 21:06 由 liu.jun

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