用户工具

站点工具


adf:analysis

差别

这里会显示出您选择的修订版和当前版本之间的差别。

到此差别页面的链接

两侧同时换到之前的修订记录前一修订版
后一修订版
前一修订版
adf:analysis [2020/11/26 23:08] liu.junadf:analysis [2023/08/06 14:20] (当前版本) liu.jun
行 9: 行 9:
   * [[adf:eledensity2020]]   * [[adf:eledensity2020]]
   * [[adf:spin-density2020]]   * [[adf:spin-density2020]]
-  * [[adf:nci]]+  * [[adf:nci2020]]
   * [[adf:analysiswithNBO2020]]   * [[adf:analysiswithNBO2020]]
-  * [[adf:elfatbcps]]+  * [[adf:elfatbcps2020]]
   * [[adf:bsse2020]]   * [[adf:bsse2020]]
   * [[adf:elf]]   * [[adf:elf]]
行 17: 行 17:
   * [[adf:aromaticity]]   * [[adf:aromaticity]]
   * [[adf:bondpath]]   * [[adf:bondpath]]
-  * [[adf:spinor]] +  * [[adf:spinor2020]] 
-  * [[adf:potential]]+  * [[adf:potential2020]]
   * [[adf:atomiccharge2020]]   * [[adf:atomiccharge2020]]
   * [[adf:bondingenergy]]   * [[adf:bondingenergy]]
   * [[adf:bondoder2020]]   * [[adf:bondoder2020]]
-  * [[adf:fukui]]+  * [[adf:fukui2020]]
   * [[adf:dipolemoment]]   * [[adf:dipolemoment]]
   * [[adf:inductionforce]]   * [[adf:inductionforce]]
   * [[adf:densityatneuc2020]]   * [[adf:densityatneuc2020]]
-  * [[adf:cddofexcitedstate]]+  * [[adf:cddofexcitedstate2020]]
   * [[adf:nto]]   * [[adf:nto]]
-  * [[adf:socmatrix]] +  * [[adf:socmatrix2020]] 
-  * [[adf:exciteddipolemoment]] +  * [[adf:exciteddipolemoment2020]] 
-  * [[adf:elfatbcps]] +  * [[adf:elfatbcps2020]] 
-  * [[adf:valuealongline]]+  * [[adf:valuealongline2020]]
 ====分子碎片分析==== ====分子碎片分析====
   * [[adf:cddofgs2020]]   * [[adf:cddofgs2020]]
行 58: 行 58:
   * [[adf:colpotential]]   * [[adf:colpotential]]
   * [[adf:mullikenpopulation]]   * [[adf:mullikenpopulation]]
-  * [[adf:valuealongline_band]]+  * [[adf:valuealongline_band2020]] 
 +  * [[adf:aimforchargetransfor]]
 ====碎片分析==== ====碎片分析====
 +  * [[adf:fragmentanalysis2020]]
 +  * [[adf:openshellftagmentanalysis_new2020]]
 +  * [[adf:nocv-disdinguishbonding2020]]
 +  * [[adf:NOCV_ADF2020]]
   * [[adf:1d-peda]]   * [[adf:1d-peda]]
   * [[adf:2d-peda]]   * [[adf:2d-peda]]
adf/analysis.txt · 最后更改: 2023/08/06 14:20 由 liu.jun

© 2014-2022 费米科技(京ICP备14023855号