Ab Initio Molecular Dynamics Study on the Initial Chemical Events in Nitramines: Thermal Decomposition of CL-20
- 8 August 2008
- journal article
- research article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry B
- Vol. 112 (35), 11005-11013
- https://doi.org/10.1021/jp804765m
Abstract
No abstract availableKeywords
This publication has 51 references indexed in Scilit:
- Interaction of NO2 with Hydrocarbon Soot: Focus on HONO Yield, Surface Modification, and MechanismThe Journal of Physical Chemistry A, 2007
- Reaction Mechanism of 1,3,5-Trinitro-s-triazine (RDX) Deciphered by Density Functional TheoryJournal of Chemical Theory and Computation, 2007
- Is NO3 Formed during the Decomposition of Nitramine Explosives?The Journal of Physical Chemistry A, 2006
- Thermal study of HNIW (CL-20)Thermochimica Acta, 2005
- Hexanitrohexaazaisowurtzitane (CL-20) and CL-20-based formulations (review)Combustion, Explosion, and Shock Waves, 2005
- Branching Ratio and Pressure Dependent Rate Constants of Multichannel Unimolecular Decomposition of Gas-Phase α-HMX: An Ab Initio Dynamics StudyThe Journal of Physical Chemistry A, 2001
- The Mechanism for Unimolecular Decomposition of RDX (1,3,5-Trinitro-1,3,5-triazine), an ab Initio StudyThe Journal of Physical Chemistry A, 2000
- FT-IR Spectra of Photochemical Reaction Products of Crystalline RDXThe Journal of Physical Chemistry, 1995
- Mechanisms of Nitramine ThermolysisThe Journal of Physical Chemistry, 1994
- The thermal decomposition of 1,3,5 trinitro hexahydro 1,3,5 triazine (RDX)—part I: The products and physical parametersCombustion and Flame, 1974