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Physics behind the Barrier to Internal Rotation of an Acetyl Chloride Molecule: A Combined Approach from Density Functional Theory, Car–Parrinello Molecular Dynamics, and Time-Resolved Wavelet Transform Theory

Physics behind the Barrier to Internal Rotation of an Acetyl Chloride Molecule: A Combined Approach from Density Functional Theory, Car–Parrinello Molecular Dynamics, and Time-Resolved Wavelet Transform Theory

Dutta, Bipan; Bhattacharjee, Biplab; Chowdhury, Joydeep

期刊名称ACS Omega
作者Dutta, Bipan; Bhattacharjee, Biplab; Chowdhury, Joydeep
卷第3卷
期第6期
印刷ISSN2470-1343
电子ISSN2470-1343
文件大小3236.10KB
发表时间2018-06-30
DOI10.1021/acsomega.8b00316
页码6794-6803

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