Dynamics of the Four-Atom BO + H2 → HBO + H Reaction: Potential Energy Surface and Reaction Selectivity from QCT Calculations
Author:
Affiliation:
1. Departament de Química Física, Universitat de Barcelona, Martí i Franquès, 1, 08028 Barcelona, Spain
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp971561o
Reference46 articles.
1. Three‐dimensional quantum mechanical reactive scattering using symmetrized hyperspherical coordinates
2. Selectively breaking either bond in the bimolecular reaction of HOD with hydrogen atoms
3. Reactions à la mode
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1. A Quasiclassical Trajectory Study of the Multichannel H(1) + H(2)BO → BO + H2, H(1)BO + H(2), HOB + H Reaction;The Journal of Physical Chemistry A;2003-01-23
2. A reduced dimensionality QM study of the BO+H2→HBO+H reaction: tunneling in polyatomic reactions;Chemical Physics Letters;2002-02
3. Quasiclassical trajectory studies on the gas-phase BrO self-reaction;Canadian Journal of Chemistry;2001-12-01
4. Molecular Dynamics Simulations of Template-Assisted Nucleation: Alcohol Monolayers at the Air−Water Interface and Ice Formation;The Journal of Physical Chemistry B;2001-10-12
5. Role of the BO bond in the reaction dynamics of BO+H2→HBO+H;Chemical Physics Letters;2001-10
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