Studies of chemical reactivity in the condensed phase. IV. Density dependent molecular dynamics simulations of vibrational relaxation in simple liquids

1988 ◽  
Vol 89 (11) ◽  
pp. 6687-6696 ◽  
Author(s):  
J. K. Brown ◽  
C. B. Harris ◽  
John C. Tully
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Condensed Phase ◽  
Vibrational Relaxation ◽  
Chemical Reactivity ◽  
Simple Liquids ◽  
Density Dependent ◽  
Dynamics Simulations ◽  
Phase Iv

Density-Dependent Liquid Nitromethane Decomposition: Molecular Dynamics Simulations Based on ReaxFF

2011 ◽  
Vol 115 (36) ◽  
pp. 10181-10202 ◽  
Author(s):  
Naomi Rom ◽  
Sergey V. Zybin ◽  
Adri C. T. van Duin ◽  
William A. Goddard ◽  
Yehuda Zeiri ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Density Dependent ◽  
Dynamics Simulations

Initial Decomposition of the Condensed-Phase β-HMX under Shock Waves: Molecular Dynamics Simulations

2012 ◽  
Vol 116 (46) ◽  
pp. 13696-13704 ◽  
Author(s):  
Ni-Na Ge ◽  
Yong-Kai Wei ◽  
Guang-Fu Ji ◽  
Xiang-Rong Chen ◽  
Feng Zhao ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Shock Waves ◽  
Molecular Dynamics Simulations ◽  
Condensed Phase ◽  
Dynamics Simulations
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