Single-Point Hessian Calculations for Improved Vibrational Frequencies and Rigid-Rotor-Harmonic-Oscillator Thermodynamics
出版年份 2021 全文链接
标题
Single-Point Hessian Calculations for Improved Vibrational Frequencies and Rigid-Rotor-Harmonic-Oscillator Thermodynamics
作者
关键词
-
出版物
Journal of Chemical Theory and Computation
Volume 17, Issue 3, Pages 1701-1714
出版商
American Chemical Society (ACS)
发表日期
2021-02-09
DOI
10.1021/acs.jctc.0c01306
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