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Physical Chemistry Chemical Physics

High quality research in physical chemistry, chemical physics and biophysical chemistry.


The i-TTM model for ab initio-based ion–water interaction potentials. II. Alkali metal ion–water potential energy functions

Corresponding authors
Department of Chemistry and Biochemistry, University of California, San Diego, La Jolla, USA
E-mail: fpaesani@ucsd.edu
Tel: +1-858-822-3383
San Diego Supercomputer Center, University of California, San Diego, La Jolla, USA
Phys. Chem. Chem. Phys., 2016, Advance Article

DOI: 10.1039/C6CP02553F
Received 17 Apr 2016, Accepted 22 Aug 2016
First published online 22 Aug 2016

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