adf:wavefunction
这是本文档旧的修订版!
上级目录
波函数分析/QTAIM/NBO[目录]
POMSimulator:一个用于预测多金属氧酸盐的水形态和自组装机制的开源工具, J Comput Chem., 2024, 1–9, DOI:
10.1002/jcc.27389
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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:
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:
10.1039/D3NJ02848H
Gradient Bundle Analysis of Electric Field Induced Changes in Electron Charge Density, J. Phys. Chem. A 2023, DOI:
10.1021/acs.jpca.3c01757
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adf/wavefunction.1717668882.txt.gz · 最后更改: 2024/06/06 18:14 由 liu.jun