Geometry-dependent distributed polarizability models for the water molecule
Author:
Affiliation:
1. Université de Lorraine, SRSMC UMR 7565, Vandoeuvre-les-Nancy F-54506, France
2. CNRS, SRSMC UMR 7565, Vandoeuvre-les-Nancy F-54506, France
3. Department of Physics and Astronomy, University of Delaware, Newark, Delaware 19716, USA
Funder
National Science Foundation (NSF)
Agence Nationale de la Recherche (ANR)
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.4939519
Reference56 articles.
1. A polarizable model for water using distributed charge sites
2. Molecular Dynamics Simulations with Interaction Potentials Including Polarization Development of a Noniterative Method and Application to Water
3. A mobile charge densities in harmonic oscillators (MCDHO) molecular model for numerical simulations: The water–water interaction
4. Modeling Polarization through Induced Atomic Charges
5. A stable fluctuating-charge polarizable model for molecular dynamics simulations: Application to aqueous electron transfers
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