adf:wavefunction
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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:wavefunction [2023/05/23 22:09] – liu.jun | adf:wavefunction [2024/02/18 15:15] – [波函数分析[目录]] liu.jun |
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======波函数分析[目录]====== | [[adf:publishedpapers|上级目录]] |
| ======波函数分析/QTAIM/NBO[目录]====== |
| - 有机金属锡单硫族化合物[SnX(X=O、S、Se和Te)]作为羰基化合物的替代配体:DFT研究, Computational and Theoretical Chemistry, Volume 1233, March 2024, 114514, DOI: [[https://www.sciencedirect.com/science/article/abs/pii/S2210271X24000537|10.1016/j.comptc.2024.114514]] |
| - The Effect of Resonance-Assisted Hydrogen Bond on the SecondOrder Nonlinear Optical properties of Pyridine Hydrazone Photoswitches: A Quantum Chemistry Investigation, New J. Chem., 2023, DOI: [[https://pubs.rsc.org/en/Content/ArticleLanding/2023/NJ/D3NJ02848H|10.1039/D3NJ02848H]] |
- Gradient Bundle Analysis of Electric Field Induced Changes in Electron Charge Density, J. Phys. Chem. A 2023, DOI: [[https://pubs.acs.org/doi/abs/10.1021/acs.jpca.3c01757|10.1021/acs.jpca.3c01757]] | - Gradient Bundle Analysis of Electric Field Induced Changes in Electron Charge Density, J. Phys. Chem. A 2023, DOI: [[https://pubs.acs.org/doi/abs/10.1021/acs.jpca.3c01757|10.1021/acs.jpca.3c01757]] |
- [[https://onlinelibrary.wiley.com/doi/10.1002/anie.202219211|Stable Ketenyl Anions via Ligand Exchange at an Anionic Carbon as Powerful Synthons((Angew. Chem. Int. Ed. 20223)]] | - [[https://onlinelibrary.wiley.com/doi/10.1002/anie.202219211|Stable Ketenyl Anions via Ligand Exchange at an Anionic Carbon as Powerful Synthons((Angew. Chem. Int. Ed. 20223)]] |
adf/wavefunction.txt · 最后更改: 2024/06/06 18:14 由 liu.jun