Combination Rules for Morse-Based van der Waals Force Fields-Reference-Cited by-同舟云学术

Combination Rules for Morse-Based van der Waals Force Fields

Published:2018-02-02 Issue:6 Volume:122 Page:1672-1677
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Yang Li¹²,Sun Lei¹,Deng Wei-Qiao¹^ORCID

Affiliation:

1. State Key Laboratory of Molecular Reaction Dynamics, Dalian National Laboratory for Clean Energy, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, China

2. University of the Chinese Academy of Sciences, Beijing 100039, China

Funder

Ministry of Science and Technology of the People's Republic of China

National Natural Science Foundation of China

Chinese Academy of Sciences

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.7b11252

Reference26 articles.

1. UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations

2. DREIDING: a generic force field for molecular simulations

3. Energy functions for peptides and proteins. I. Derivation of a consistent force field including the hydrogen bond from amide crystals

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

5. Second virial coefficient of gases and gaseous mixtures on the Morse potential

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