adf:knowledgeofcc

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

--- adf:knowledgeofcc [2024/01/17 20:29] – liu.jun
+++ adf:knowledgeofcc [2024/03/25 10:08] (当前版本) – liu.jun
@@ 行 11: / 行 11: @@
   * [[adf:relativity]]
   * [[adf:basisvsrel]]
-  * [[adf:symmetryandexcitaion]]
   * [[adf:freq]]
   * [[adf:parallelefficiency]]
   * [[adf:HOMO_LUMO]]
   * [[adf:functional]]
-  * [[adf:temandqm]]
   * [[adf:UnrestrictedRestricted]]
   * [[adf:Geo_and_virtualFreq]]
@@ 行 25: / 行 23: @@
   * [[adf:mobility]]
   * [[adf:VDD]]
   * [[adf:gsandexciteds]]
+  * [[adf:excited_state]]
   * [[adf:spinstate]]
   * [[adf:qualityofDOScurve]]
   * [[adf:arrheniuseq]]
+  * [[adf:deltaH]]
   * [[adf:bondodersetup]]
   * [[adf:krofADF]]
   * [[adf:symmetryandrepresentation]]
-  * [[adf:periodicity]]
+  * [[adf:symmetryandexcitaion]]
+  * [[adf:stateofmolecule]]
   * [[adf:PESSCANofbulk]]
+  * [[adf:crystalandsurface|晶体与表面计算的一些基础知识]]
   * [[adf:bulk-surface-cluster]]
   * [[adf:singleatom]]
   * [[adf:k-spacepoints]]
-</WRAP>
+  * [[adf:activation]]
-<WRAP half column>
+</WRAP>
+<WRAP half column>
   * [[adf:temperatureofelectron]]
   * [[adf:TheoryofETS-NOCV]]
   * [[adf:nocv-disdinguishbonding2020|ETS-NOCV用途：将能量分解EDA中Orbital Interactions具体分解到不同轨道上；将成键引起的电子转移，分解到各个片段轨道]]
-  * [[adf:excited state]]
   * [[adf:quantumyield]]
   * [[adf:MCLT]]
@@ 行 63: / 行 65: @@
   * [[adf:socinsetting]]
   * [[adf:NCI2020]]
-  * [[adf:deltaH]]
   * [[adf:TPAtheory]]
   * **[[adf:effofparal]]**
 ====COSMO-RS/SAC/UNIFAC====
@@ 行 71: / 行 71: @@
   * [[adf:cosmo-unifac]]
   * [[adf:HBD-HBA]]
-  * [[adf:selectmethodofreaxff]]
+  * [[adf:cosmo-rsforpolymer]]
-  * [[adf:forreaxffenewuser]]
+====ReaxFF/分子动力学/蒙特卡洛====
+  * [[adf:periodicity]]
+  * [[adf:temandqm]]
+  * [[adf:forreaxffenewuser]]
+  * [[adf:selectmethodofreaxff]]
+  * [[adf:dftenergyforzacros]]

adf/knowledgeofcc.1705494596.txt.gz · 最后更改: 2024/01/17 20:29 由 liu.jun

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