High-Level ab Initio and Density Functional Theory Evaluation of Combustion Reaction Energetics: NO2 and HONO Elimination from Dimethylnitramine
Author:
Affiliation:
1. Henry Eyring Center for Theoretical Chemistry, Department of Chemistry, University of Utah, 315 S 1400 E, Room Dock, Salt Lake City, Utah 84112
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp9925029
Reference44 articles.
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3. Thermal decomposition of energetic materials. 3. Temporal behaviors of the rates of formation of the gaseous pyrolysis products from condensed-phase decomposition of 1,3,5-trinitrohexahydro-s-triazine (RDX)
4. Infrared multiphoton dissociation of RDX in a molecular beam
5. TheRate: Program forab initio direct dynamics calculations of thermal and vibrational-state-selected rate constants
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