Calculation of IR Spectra with a Fully Polarizable QM/MM Approach Based on Fluctuating Charges and Fluctuating Dipoles.

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Authors: Giovannini, Tommaso; Grazioli, Laura; Ambrosetti, Matteo; Cappelli, Chiara

Journal title: Journal of Chemical Theory and Computation

Journal number: 20

Journal publisher: American Chemical Society

Published year: 2019

DOI identifier: 10.1021/acs.jctc.9b00574

ISSN: 1549-9618