Reaction-Path Dynamics Calculations of the Cl + NH3 Hydrogen Abstraction Reaction: The Role of the Intermediate Complexes
Author:
Affiliation:
1. Departamento de Química Física, Universidad de Extremadura, 06071 Badajoz, Spain
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp911664t
Reference29 articles.
1. Mechanism and modeling of nitrogen chemistry in combustion
2. Song, Y. H.; Blair, D. W.; Siminski, V. J.; Bartok, W.Eighteenth Symposium (International) on Combustion;The Combustion Institute:Pittsburgh, PA, 1981; p53.
3. Rates of H+CF3Br and Cl+NH3
4. Thermochemistry Is Not a Lower Bound to the Activation Energy of Endothermic Reactions: A Kinetic Study of the Gas-Phase Reaction of Atomic Chlorine with Ammonia
5. Ab initio study of reactions between halogen atoms and various fuel molecules by Gaussian-2 theory
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