Optimization and Application of Lithium Parameters for the Reactive Force Field, ReaxFF-Reference-Cited by-同舟云学术

Optimization and Application of Lithium Parameters for the Reactive Force Field, ReaxFF

Published:2005-05-01 Issue:20 Volume:109 Page:4575-4582
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Han Sang Soo¹,van Duin Adri C. T.¹,Goddard William A.¹,Lee Hyuck Mo¹

Affiliation:

1. Department of Materials Science and Engineering, Korea Advanced Institute of Science and Technology, Kusung-dong 373-1, Yusung-gu, Daejon 305-701, Korea, and Materials and Process Simulation Center, Division of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena, California 91125

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp051450m

Reference35 articles.

1. X-Ray Structural Analyses of Organolithium Compounds

2. DREIDING: a generic force field for molecular simulations

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

4. Charge equilibration for molecular dynamics simulations

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