Mutually polarizable QM/MM model with in situ optimized localized basis functions-Reference-Cited by-同舟云学术

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Mutually polarizable QM/MM model with in situ optimized localized basis functions

Published:2019-02-21 Issue:7 Volume:150 Page:074103
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Dziedzic Jacek¹²^ORCID,Head-Gordon Teresa³⁴^ORCID,Head-Gordon Martin³^ORCID,Skylaris Chris-Kriton¹^ORCID

Affiliation:

1. School of Chemistry, University of Southampton, Highfield, Southampton SO17 1BJ, United Kingdom

2. Faculty of Applied Physics and Mathematics, Gdańsk University of Technology, Gdańsk, Poland

3. Pitzer Theory Center and Department of Chemistry, University of California, Berkeley, California 94720, USA

4. Department of Bioengineering, University of California, Berkeley, California 94720, USA

Funder

National Science Foundation

Engineering and Physical Sciences Research Council

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.5080384

Reference98 articles.

1. Computer Simulation of Molecular Dynamics: Methodology, Applications, and Perspectives in Chemistry

2. Advanced models for water simulations

3. New developments in force fields for biomolecular simulations

4. Assessing many-body contributions to intermolecular interactions of the AMOEBA force field using energy decomposition analysis of electronic structure calculations

5. Assessing Ion–Water Interactions in the AMOEBA Force Field Using Energy Decomposition Analysis of Electronic Structure Calculations

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