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adf:analysis [2018/02/08 21:06] – liu.jun | adf:analysis [2022/02/27 20:52] – [波函数分析、构效关系、成键分析[目录]] liu.jun | ||
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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 group> | ||
<WRAP half column> | <WRAP half column> | ||
=====分子与团簇===== | =====分子与团簇===== | ||
- | | + | ====波函数分析==== |
- | * [[adf:eledensity]] | + | |
- | * [[adf:spin-density]] | + | * [[adf:eledensity2020]] |
- | * [[adf: | + | * [[adf:spin-density2020]] |
- | * [[adf: | + | * [[adf:nci2020]] |
- | * [[adf:nbos]] | + | * [[adf:analysiswithNBO2020]] |
- | * [[adf:rho]] | + | * [[adf:elfatbcps2020]] |
- | * [[adf:chargeinaminoacid]] | + | * [[adf:bsse2020]] |
- | * [[adf:bsse]] | + | |
* [[adf:elf]] | * [[adf:elf]] | ||
* [[adf: | * [[adf: | ||
* [[adf: | * [[adf: | ||
* [[adf: | * [[adf: | ||
- | * [[adf:spinor]] | + | * [[adf:spinor2020]] |
- | * [[adf:potential]] | + | * [[adf:potential2020]] |
- | * [[adf:atomiccharge]] | + | * [[adf:atomiccharge2020]] |
* [[adf: | * [[adf: | ||
- | * [[adf:bondoder]] | + | * [[adf:bondoder2020]] |
+ | * [[adf: | ||
* [[adf: | * [[adf: | ||
* [[adf: | * [[adf: | ||
- | * [[adf:electrondensityatnuclei]] | + | * [[adf:densityatneuc2020]] |
- | * [[adf:freqdependentpolar]] | + | * [[adf:cddofexcitedstate2020]] |
- | * [[adf: | + | |
* [[adf:nto]] | * [[adf:nto]] | ||
- | * [[adf:socmatrix]] | + | * [[adf:socmatrix2020]] |
- | * [[adf:exciteddipolemoment]] | + | * [[adf:exciteddipolemoment2020]] |
+ | * [[adf: | ||
+ | * [[adf: | ||
====分子碎片分析==== | ====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: | * [[adf: | ||
* [[adf: | * [[adf: | ||
行 40: | 行 43: | ||
* [[adf: | * [[adf: | ||
* [[adf: | * [[adf: | ||
- | * [[adf: | + | |
</ | </ | ||
<WRAP half column> | <WRAP half column> | ||
=====周期性体系===== | =====周期性体系===== | ||
+ | ====波函数分析==== | ||
+ | * [[adf: | ||
+ | * [[adf: | ||
* [[adf: | * [[adf: | ||
- | * [[adf:aimcharge]] | + | * [[adf:chargeinaminoacid2020]] |
* [[adf: | * [[adf: | ||
* [[adf: | * [[adf: | ||
* [[adf: | * [[adf: | ||
* [[adf: | * [[adf: | ||
+ | * [[adf: | ||
+ | ====碎片分析==== | ||
+ | * [[adf: | ||
+ | * [[adf: | ||
+ | * [[adf: | ||
+ | * [[adf: | ||
* [[adf: | * [[adf: | ||
* [[adf: | * [[adf: | ||
行 56: | 行 69: | ||
* [[adf: | * [[adf: | ||
* [[adf: | * [[adf: | ||
- | * [[adf: | + | |
- | * [[adf: | + | |
</ | </ | ||
</ | </ |