Thermal Decomposition of Condensed-Phase Nitromethane from Molecular Dynamics from ReaxFF Reactive Dynamics-Reference-Cited by-同舟云学术

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Thermal Decomposition of Condensed-Phase Nitromethane from Molecular Dynamics from ReaxFF Reactive Dynamics

Published:2011-05-04 Issue:20 Volume:115 Page:6534-6540
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Han Si-ping¹²,van Duin Adri C. T.²,Goddard William A.²,Strachan Alejandro³

Affiliation:

1. Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, United States

2. Materials and Process Simulation Center, Beckman Institute (139-74), California Institute of Technology, Pasadena, California 91125, United States

3. School of Materials Engineering, Purdue University, West Lafayette, Indiana 47907, United States

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/jp1104054

Reference32 articles.

1. The Mechanism for Unimolecular Decomposition of RDX (1,3,5-Trinitro-1,3,5-triazine), an ab Initio Study

2. The Mechanism of Forming H2O from H2 and O2 over a Pt Catalyst via Direct Oxygen Reduction

3. Early chemistry in hot and dense nitromethane: Molecular dynamics simulations

4. Molecular dynamics simulations of shocked benzene

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