TITLE

Semiclassical wave packet calculations on ion--molecule reactions: Studies on B

AUTHOR(S)
Vijay, Amrendra; Billing, G.D.
PUB. DATE
August 1997
SOURCE
Journal of Chemical Physics;8/22/1997, Vol. 107 Issue 8, p2974
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
Investigates nonadiabatic scattering processes occurring in B+H2 reaction in the gas phase on triplet electronic surfaces. Use of a mixed quantum-classical approach to scattering of three particle systems in hyperspherical coordinates; Time-dependent Schrodinger equation; Wave packet propagation method; Potential-energy surfaces obtained.
ACCESSION #
4266767

 

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