Excited-State Gradients in Polarizable QM/MM Models: An Induced Dipole Formulation

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Authors: Maximilian F. S. J. Menger, Stefano Caprasecca, Benedetta Mennucci

Journal title: Journal of Chemical Theory and Computation

Journal number: 13/8

Journal publisher: American Chemical Society

Published year: 2017

Published pages: 3778-3786

DOI identifier: 10.1021/acs.jctc.7b00475

ISSN: 1549-9618