"MTASpec software for calculating the vibrational IR and Raman spectra of ..."

Subodh Khire, Nityananda Sahu, Shridhar R. Gadre (2022)

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DOI: 10.1016/J.CPC.2021.108175

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type: Journal Article

metadata version: 2022-01-08

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Subodh Khire, Nityananda Sahu, Shridhar R. Gadre:
MTASpec software for calculating the vibrational IR and Raman spectra of large molecules at ab initio level. Comput. Phys. Commun. 270: 108175 (2022)

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