Electrostatic Embedding To Model the Impact of Environment on Photophysical Properties of Molecular Crystals: A Self-Consistent Charge Adjustment Procedure

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Authors: Liam Wilbraham, Carlo Adamo, Frédéric Labat, Ilaria Ciofini

Journal title: Journal of Chemical Theory and Computation

Journal number: 12/7

Journal publisher: American Chemical Society

Published year: 2016

Published pages: 3316-3324

DOI identifier: 10.1021/acs.jctc.6b00263

ISSN: 1549-9618