Automatized protocol and interface to simulate QM/MM time-resolved transient absorption at TD-DFT level with COBRAMM

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Authors: Davide Avagliano, Matteo Bonfanti, Artur Nenov, Marco Garavelli

Journal title: Journal of Computational Chemistry

Journal number: Volume 43, Issue 24, Pages 1641-1655

Journal publisher: Wiley Periodicals, LLC

Published year: 2022

DOI identifier: 10.1002/jcc.26966

ISSN: 1096-987X