Molecular Dynamics Simulations of Hexahydro-1,3,5-trinitro-1,3,5-s-triazine (RDX) Using a Combined Sorescu−Rice−Thompson AMBER Force Field-Reference-Cited by-同舟云学术

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Molecular Dynamics Simulations of Hexahydro-1,3,5-trinitro-1,3,5-s-triazine (RDX) Using a Combined Sorescu−Rice−Thompson AMBER Force Field

Published:2006-11-30 Issue:51 Volume:110 Page:26185-26188
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Agrawal Paras M.¹,Rice Betsy M.²,Zheng Lianqing³,Thompson Donald L.³

Affiliation:

1. Department of Chemistry, Oklahoma State University, Stillwater, Oklahoma 74078

2. U.S. Army Research Laboratory, AMSRD-ARL-WM-BD, Weapons and Materials Research Directorate, Aberdeen Proving Ground, Maryland 21005-5069

3. Department of Chemistry, University of Missouri-Columbia, Columbia, Missouri 65211

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp065241t

Reference29 articles.

1. Intermolecular Potential for the Hexahydro-1,3,5-trinitro-1,3,5-s-triazine Crystal (RDX): A Crystal Packing, Monte Carlo, and Molecular Dynamics Study

2. A Transferable Intermolecular Potential for Nitramine Crystals

3. Theoretical Studies of Solid Nitromethane

4. Molecular Dynamics Simulations of Liquid Nitromethane

5. Molecular dynamics simulations of melting and the glass transition of nitromethane

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