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
Main Authors: | Bipan Dutta, Biplab Bhattacharjee, Joydeep Chowdhury |
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Format: | Article |
Language: | English |
Published: |
American Chemical Society
2018-06-01
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Series: | ACS Omega |
Online Access: | http://dx.doi.org/10.1021/acsomega.8b00316 |
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