Theoretical study of the dynamics of the H+CH4 and H+C2H6 reactions using a specific-reaction-parameter semiempirical Hamiltonian
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.2918358
Reference46 articles.
1. H+H2Thermal Reaction: A Convergence of Theory and Experiment
2. First-Principles Theory for the H + H 2 O, D 2 O Reactions
3. First-Principles Theory for the H + CH 4 → H 2 + CH 3 Reaction
4. DIRECT DYNAMICS SIMULATIONS OF REACTIVE SYSTEMS
5. Hyperthermal Reactions of O(3P) with Alkanes: Observations of Novel Reaction Pathways in Crossed-Beams and Theoretical Studies
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