QM/MM optimization with quantum coupling: Host–guest interactions in a pentacene-doped <i>p</i>-terphenyl crystal

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Authors: Andrés I. Bertoni; Richard M. Fogarty; Cristián G. Sánchez; Andrew P. Horsfield

Journal title: J. Chem. Phys.

Journal number: 156

Journal publisher: American Institute of Physics

Published year: 2022

Published pages: 044110

DOI identifier: 10.1063/5.0079788

ISSN: 0021-9606