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adf:adfmodule2020 [2023/11/27 18:07] – liu.jun | adf:adfmodule2020 [2024/04/24 22:48] (当前版本) – [ADF:分子、团簇DFT计算] liu.jun | ||
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====== ADF:分子、团簇DFT计算====== | ====== ADF:分子、团簇DFT计算====== | ||
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<WRAP group> | <WRAP group> | ||
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- | ====1.3 | + | ====1.3 核磁NMR、ESR、VCD、拉曼与共振拉曼==== |
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- | ====1.4 | + | |
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- | ====1.5 载流子迁移==== | + | ====1.4 载流子迁移==== |
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* [[http:// | * [[http:// | ||
* [[adf:DRF]] | * [[adf:DRF]] | ||
- | ====1.6 溶剂化==== | + | ====1.5 溶剂化==== |
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- | ====1.7 非线性光学==== | + | ====1.6 非线性光学==== |
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- | =====二、激发态===== | + | |
+ | =====二、化学键、相互作用分析===== | ||
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+ | =====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==== | ||
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====2.2 系间窜跃==== | ====2.2 系间窜跃==== | ||
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====2.3 激发态结构、过渡态、频率==== | ====2.3 激发态结构、过渡态、频率==== | ||
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- | =====三、建模===== | + | =====四、其他===== |
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+ | =====五、建模===== | ||
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- | =====四、其他===== | ||
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</ | </ | ||
</ | </ |