Using Atomic Confining Potentials for Geometry Optimization and Vibrational Frequency Calculations in Quantum-Chemical Models of Enzyme Active Sites

标题
Using Atomic Confining Potentials for Geometry Optimization and Vibrational Frequency Calculations in Quantum-Chemical Models of Enzyme Active Sites
作者
关键词
-
出版物
JOURNAL OF PHYSICAL CHEMISTRY B
Volume 124, Issue 7, Pages 1137-1147
出版商
American Chemical Society (ACS)
发表日期
2020-01-28
DOI
10.1021/acs.jpcb.9b11060

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