Quasiclassical three-dimensional dynamics of the B + OH → BO + H reaction : dependence on the nature of the potential-energy surface-Reference-Cited by-同舟云学术

Quasiclassical three-dimensional dynamics of the B + OH → BO + H reaction : dependence on the nature of the potential-energy surface

Published:1993 Issue:10 Volume:89 Page:1587-1592
ISSN:0956-5000
Container-title:J. Chem. Soc., Faraday Trans.
language:en
Short-container-title:J. Chem. Soc., Faraday Trans.

Author:

Grande Xavier,Albertí Margarita,Giménez Xavier,Lucas Josep M.,Aguilar Antonio

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/1993/FT/FT9938901587

Reference19 articles.

1. Supercomputer Algorithms for Reactivity, Dynamics and Kinetics of Small Molecules, ed. A. Laganà, NATO ASI Series, vol. C277, Kluwer, Dordrecht, 1989.

2. A theoretical study of the addition of atomic boron to water.

3. A. Solé , R.Sayós, J. M.Lucas, M.González, X.Giménez, M.Alberti and A.Aguilar, in Studies in Physical and Theoretical Chemistry, ed. R. Carbó, Elsevier, Amsterdam, 1989, vol. 62, p. 535.

4. HBO osculating complex in the B(2P)+ OH(2Π) reaction

5. B(2P)+ H2O (X1A1): a quasi-classical 3D trajectory calculation

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1. Locating all transition states and studying the reaction pathways of potential energy surfaces;The Journal of Chemical Physics;1999-05-08

2. Cross-sections exhibiting quantum resonances: the B+OH case;Journal of Molecular Structure: THEOCHEM;1999-04

3. Angular momenta correlation in kinematically constrained reactions. II. Application to the B + OH → BO + H system;Molecular Physics;1998-02

4. Dynamics of the Four-Atom BO + H2 → HBO + H Reaction: Potential Energy Surface and Reaction Selectivity from QCT Calculations;The Journal of Physical Chemistry A;1997-11-01

5. On the product vibrational distribution of exoergic reactions: the B + OH system;Chemical Physics Letters;1995-02