A theoretical investigation of different point charges combined with GAFF and OPLS-AA for acetic anhydride

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Authors: Veerapandian Ponnuchamy

Journal title: Science Direct

Journal number: 754

Journal publisher: Blackwell Publishing Inc.

Published year: 2020

DOI identifier: 10.1016/j.cplett.2020.137707

ISSN: 0004-8674