Recent Advances toward a General Purpose Linear-Scaling Quantum Force Field-Reference-Cited by-同舟云学术

Recent Advances toward a General Purpose Linear-Scaling Quantum Force Field

Published:2014-06-17 Issue:9 Volume:47 Page:2812-2820
ISSN:0001-4842
Container-title:Accounts of Chemical Research
language:en
Short-container-title:Acc. Chem. Res.

Author:

Giese Timothy J.¹,Huang Ming¹²,Chen Haoyuan¹,York Darrin M.¹

Affiliation:

1. Center for Integrative Proteomics Research, BioMaPS Institute, and Department of Chemistry and Chemical Biology, Rutgers University, Piscataway, New Jersey 08854-8087 United States

2. Scientific Computation, University of Minnesota, 207 Pleasant Street SE, Minneapolis, Minnesota 55455−0431, United States

Funder

National Science Foundation

National Institutes of Health

Publisher

American Chemical Society (ACS)

Subject

General Medicine,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/ar500103g

Reference40 articles.

1. Combined Quantum Mechanics/Molecular Mechanics (QM/MM) Methods in Computational Enzymology

2. Ab Initio Calculations of Free Energy Barriers for Chemical Reactions in Solution

3. Charge-dependent model for many-body polarization, exchange, and dispersion interactions in hybrid quantum mechanical∕molecular mechanical calculations

4. Coupled-Cluster Calculations of Vibrational Raman Optical Activity Spectra

5. Simulation of NMR Data Reveals That Proteins’ Local Structures Are Stabilized by Electronic Polarization

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