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Multicomponent Time-Dependent Density Functional Theory: Proton and Electron Excitation Energies 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY LETTERS JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2018, 卷号: Vol.9 No.7, 页码: 1765-1770
作者:  Yang Yang;  Tanner Culpitt;  Sharon Hammes-Schiffer
收藏  |  浏览/下载:3/0  |  提交时间:2019/12/26
Structure, spectroscopy, and reactivity properties of porphyrin pincers: a conceptual density functional theory and time-dependent density functional theory study 期刊论文
The Journal of Physical Chemistry. A, 2008, 卷号: Vol.112 No.2, 页码: 305-311
作者:  Huang, Ying;  Zhong, Aiguo;  Rong, Chunying;  Xiao, Ming;  Liu, Shubin
收藏  |  浏览/下载:1/0  |  提交时间:2020/01/13


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