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Paper

Toward polarizable AMOEBA thermodynamics at fixed charge efficiency using a dual force field approach: application to organic crystals

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Corresponding authors
a
Department of Chemical Engineering, University of Iowa, Iowa City, USA
b
Department of Biochemistry, University of Iowa, Iowa City, USA
c
Department of Biomedical Engineering, University of Iowa, Iowa City, USA
E-mail: michael-schnieders@uiowa.edu
Phys. Chem. Chem. Phys., 2016,18, 30313-30322

DOI: 10.1039/C6CP02595A
Received 18 Apr 2016, Accepted 09 Aug 2016
First published online 09 Aug 2016

This article is part of themed collection: Insights from advanced methods in molecular dynamics
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