The thermal decomposition process of Composition B by ReaxFF/lg force field

Reactive molecular dynamics simulation of the thermal decomposition mechanisms of 4,10-dinitro-2,6,8,12-tetraoxa-4,10-diazatetracyclo[5.5.0.05,9.03,11]dodecane (TEX)

(2019) Lijun Yang et al.   COMBUSTION AND FLAME

Thermal Decomposition Mechanism of CL-20 at Different Temperatures by ReaxFF Reactive Molecular Dynamics Simulations

(2018) Fuping Wang et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Cluster Evolution at Early Stages of 1,3,5-Triamino-2,4,6-trinitrobenzene under Various Heating Conditions: A Molecular Reactive Force Field Study

(2016) Yushi Wen et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Decomposition of Condensed Phase Energetic Materials: Interplay between Uni- and Bimolecular Mechanisms

(2014) David Furman et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Adsorption and decomposition mechanism of hexogen (RDX) on Al(111) surface by periodic DFT calculations

(2013) Cai-Chao Ye et al.   JOURNAL OF MOLECULAR MODELING

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

(2011) Naomi Rom et al.   JOURNAL OF PHYSICAL CHEMISTRY A

ReaxFF-lg: Correction of the ReaxFF Reactive Force Field for London Dispersion, with Applications to the Equations of State for Energetic Materials

(2011) Lianchi Liu et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Field observations of the persistence of Comp B explosives residues in a salt marsh impact area

(2009) Marianne E. Walsh et al.   CHEMOSPHERE