Predictive Model of Charge Mobilities in Organic Semiconductor Small Molecules with Force-Matched Potentials

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Authors: Varuni Dantanarayana, Tahereh Nematiaram, Daniel Vong, John E. Anthony, Alessandro Troisi, Kien Nguyen Cong, Nir Goldman, Roland Faller, Adam J. Moulé

Journal title: Journal of Chemical Theory and Computation

Journal number: 16/6

Journal publisher: American Chemical Society

Published year: 2020

Published pages: 3494-3503

DOI identifier: 10.1021/acs.jctc.0c00211

ISSN: 1549-9618