ISSN:
0020-7608
Keywords:
Computational Chemistry and Molecular Modeling
;
Atomic, Molecular and Optical Physics
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
On the basis of an analytical potential energy surface for the electronic ground state of the Na+ + H2 system reported recently, extensive trajectory calculations have been performed to study the collision dynamics of vibrationally inelastic processes at total energies up to ∼3 eV. Special attention is given to the relative efficiacy of translational and rotational energy, respectively, in promoting vibrational energy transfer. Vibrational transitions are found to be substantially enhanced by initial molecular rotation. Furthermore, the applicability of simple models is discussed.
Additional Material:
6 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/qua.560340608
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