Improved parameterization of interatomic potentials for rare gas dimers with density-based energy decomposition analysis-Reference-Cited by-同舟云学术

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Improved parameterization of interatomic potentials for rare gas dimers with density-based energy decomposition analysis

Published:2014-06-07 Issue:21 Volume:140 Page:214117
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Zhou Nengjie¹,Lu Zhenyu¹,Wu Qin²,Zhang Yingkai¹³

Affiliation:

1. Department of Chemistry, New York University, New York, New York 10003, USA

2. Center for Functional Nanomaterials, Brookhaven National Laboratory, Upton, New York 11973, USA

3. NYU-ECNU Center for Computational Chemistry at NYU Shanghai, Shanghai 200062, China

Funder

U.S. Department of Energy (DOE)

National Institute of General Medical Sciences (NIGMS)

National Institute of General Medical Sciences

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.4881255

Reference106 articles.

1. The OPLS [optimized potentials for liquid simulations] potential functions for proteins, energy minimizations for crystals of cyclic peptides and crambin

2. A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules

3. A Polarizable Force Field and Continuum Solvation Methodology for Modeling of Protein−Ligand Interactions

4. Development of an Accurate and Robust Polarizable Molecular Mechanics Force Field from ab Initio Quantum Chemistry

5. Development of Many−Body Polarizable Force Fields for Li-Battery Components: 1. Ether, Alkane, and Carbonate-Based Solvents

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