Temperature-Dependent Terahertz Spectra of Isonicotinamide in the Form I Studied Using the Quasi-Harmonic Approximation.

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第一作者： Yin,Li

第一单位： Department of Physics, School of Physics and Materials Science, Nanchang University, Xuefu Avenue 999, Nanchang City, 330031, China.

作者： Yin,Li ^[1] ; Yiwen,Sun ^[2] ; Qiqi,Li ^[2] ; Jiangtao,Lei ^[3] ; Bo,Yang ^[4] ; Yun,Shen ^[1] ; Yingxiang,Cai ^[1] ; Xiaohua,Deng ^[1]

作者单位： Department of Physics, School of Physics and Materials Science, Nanchang University, Xuefu Avenue 999, Nanchang City, 330031, China. ^[1] Health Science Center, School of Biomedical Engineering, Shenzhen University, Shenzhen City, 518060, China. ^[2] Institute of Space Science and Technology, Nanchang University, Xuefu Avenue 999, Nanchang City, 330031, China. ^[3] Department of Materials and Chemicals, School of Physics and Materials Science, Nanchang University, Xuefu Avenue 999, Nanchang City, 330031, China. ^[4]

关键词 anharmonicity density functional calculation isonicotinamide quasi-harmonic approximation terahertz spectroscopy

主题词分子构象(Molecular Conformation);烟酰胺(Niacinamide);温度(Temperature);太赫兹光谱分析(Terahertz Spectroscopy);振动(Vibration)

DOI 10.1002/cphc.202100849

PMID 35098625

发布时间 2022-04-05

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