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Capturing the Electron-Phonon Renormalization in Molecules from First-Principles 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2021, 卷号: 125, 期号: 12, 页码: 2682-2689
作者:  Shang, Honghui;  Yang, Jinlong
收藏  |  浏览/下载:19/0  |  提交时间:2021/12/01
The Moving-Grid Effect in the Harmonic Vibrational Frequency Calculations with Numeric Atom-Centered Orbitals 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2020, 卷号: 124, 期号: 14, 页码: 2897-2906
作者:  Shang, Honghui;  Yang, Jinlong
收藏  |  浏览/下载:29/0  |  提交时间:2020/12/10