Quasiclassical Trajectory Studies of H + H2O and H + D2O Reactions on a New ab Initio Potential Energy Surface
Author:
Affiliation:
1. Departamento de Química Física I, Facultad de Química, Universidad Complutense 28040 Madrid, Spain
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp001059v
Reference51 articles.
1. Theoretical Studies of Polyatomic Bimolecular Reaction Dynamics
2. The dynamics of the reaction OH + D2 → HOD + D: Crossed beam experiments and quantum mechanical scattering calculations on ab initio potential energy surfaces
3. Hot atom‐laser induced fluorescence experiments on the reaction of H(2S) with O2
4. H+H2O reaction dynamics: state distribution for the OH product
5. H + H2O→OH + H2: absolute reaction cross sections and OH state distributions
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1. Control of Mode/Bond Selectivity and Product Energy Disposal by the Transition State: X + H2O (X = H, F, O(3P), and Cl) Reactions;Journal of the American Chemical Society;2013-09-27
2. Quasiclassical trajectory study of the SiH4+H→SiH3+H2 reaction on a global ab initio potential energy surface;The Journal of Chemical Physics;2008-08-28
3. Product spin–orbit state resolved dynamics of the H+H2O and H+D2O abstraction reactions;The Journal of Chemical Physics;2004-12
4. The H + N2O → OH + N2 Reaction Dynamics on an Interpolated QCISD Potential Energy Surface. A Quasiclassical Trajectory Study;The Journal of Physical Chemistry A;2004-07-20
5. Cross-sections for the H + H2O → OH + H2and H + D2O → OD + HD abstraction reactions;Phys. Chem. Chem. Phys.;2004
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