Car–Parrinello Molecular Dynamics Simulations of Infrared Spectra of Crystalline Vitamin C with Analysis of Double Minimum Proton Potentials for Medium-Strong Hydrogen Bonds

标题
Car–Parrinello Molecular Dynamics Simulations of Infrared Spectra of Crystalline Vitamin C with Analysis of Double Minimum Proton Potentials for Medium-Strong Hydrogen Bonds
作者
关键词
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出版物
JOURNAL OF PHYSICAL CHEMISTRY B
Volume 119, Issue 25, Pages 7922-7930
出版商
American Chemical Society (ACS)
发表日期
2015-06-01
DOI
10.1021/acs.jpcb.5b02777

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