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Perturbation Approach for Computing Infrared Spectra of the Local Mode of Probe Molecules
Xue, Rui-Jie, Grofe, Adam, Yin, He, Qu, Zexing, Gao, Jiali, Li, HuiLanguage:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.6b00733
Date:
November, 2016
File:
PDF, 1.31 MB
english, 2016