Representation of the QM Subsystem for Long-Range Electrostatic Interaction in Non-Periodic Ab Initio QM/MM Calculations

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Authors: Xiaoliang Pan, Edina Rosta, Yihan Shao

Journal title: Molecules

Journal number: 23/10

Journal publisher: Multidisciplinary Digital Publishing Institute (MDPI)

Published year: 2018

Published pages: 2500

DOI identifier: 10.3390/molecules23102500

ISSN: 1420-3049