这里会显示出您选择的修订版和当前版本之间的差别。
两侧同时换到之前的修订记录前一修订版后一修订版 | 前一修订版后一修订版两侧同时换到之后的修订记录 | ||
adf:adfmodule2020 [2024/03/22 17:13] – liu.jun | adf:adfmodule2020 [2024/04/24 22:48] – [ADF:分子、团簇DFT计算] liu.jun | ||
---|---|---|---|
行 68: | 行 68: | ||
* [[adf: | * [[adf: | ||
- | ====1.3 | + | ====1.3 核磁NMR、ESR、VCD、拉曼与共振拉曼==== |
- | * [[adf: | + | |
- | * [[adf: | + | |
- | * [[adf: | + | |
- | * [[adf: | + | |
- | * [[adf: | + | |
- | * [[adf: | + | |
- | * [[adf: | + | |
- | * [[adf: | + | |
- | * [[adf: | + | |
- | * [[adf: | + | |
- | * [[adf: | + | |
- | ====1.4 | + | |
* [[adf: | * [[adf: | ||
* [[adf: | * [[adf: | ||
行 93: | 行 81: | ||
* [[adf: | * [[adf: | ||
* [[adf: | * [[adf: | ||
- | ====1.5 载流子迁移==== | + | ====1.4 载流子迁移==== |
* [[adf: | * [[adf: | ||
* [[adf: | * [[adf: | ||
* [[http:// | * [[http:// | ||
* [[adf:DRF]] | * [[adf:DRF]] | ||
- | ====1.6 溶剂化==== | + | ====1.5 溶剂化==== |
* [[adf: | * [[adf: | ||
* [[adf: | * [[adf: | ||
行 105: | 行 93: | ||
* [[https:// | * [[https:// | ||
- | ====1.7 非线性光学==== | + | ====1.6 非线性光学==== |
* [[adf: | * [[adf: | ||
* [[adf: | * [[adf: | ||
行 115: | 行 103: | ||
<WRAP half column> | <WRAP half column> | ||
- | =====二、激发态===== | + | |
+ | =====二、化学键、相互作用分析===== | ||
+ | * [[adf: | ||
+ | * [[adf: | ||
+ | * [[adf: | ||
+ | * [[adf: | ||
+ | * [[adf: | ||
+ | * [[adf: | ||
+ | * [[adf: | ||
+ | * [[adf: | ||
+ | * [[adf: | ||
+ | * [[adf: | ||
+ | * [[adf: | ||
+ | * [[adf: | ||
+ | =====三、激发态===== | ||
====2.1 垂直跃迁、简单激发、拉曼、ECD、XANES、NEXAFS==== | ====2.1 垂直跃迁、简单激发、拉曼、ECD、XANES、NEXAFS==== | ||
* [[adf: | * [[adf: | ||
行 166: | 行 168: | ||
* [[adf: | * [[adf: | ||
- | =====三、其他===== | + | =====四、其他===== |
* [[adf: | * [[adf: | ||
* [[adf: | * [[adf: | ||
* [[adf: | * [[adf: | ||
* [[adf: | * [[adf: | ||
- | =====四、建模===== | + | =====五、建模===== |
* {{ : | * {{ : | ||
* [[adf: | * [[adf: |