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Potential energy surface effects on differential cross sections for polyatomic reactions

✍ Scribed by Gunnar Nyman; David C. Clary; Raphael D. Levine

Publisher
Elsevier Science
Year
1995
Tongue
English
Weight
862 KB
Volume
191
Category
Article
ISSN
0301-0104

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πŸ“œ SIMILAR VOLUMES

On the non-crossing rule for potential e
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It is shown that the non-crossing rule for the intersection of potential energy curves of diatomic molecules applies also to potential energy surfaces of polyatomic molecules.

The F + HD reaction: cross sections and
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Reaction cross sections and rate constants for the F + HD reaction have been calculated on the recently released Stark-Werner (SW) ab initio potential energy surface (PES) using the quasiclassical trajectory (QCT) method. The results are compared to other theoretical calculations on different PESs a

A more accurate potential energy surface
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✍ Steven L. Mielke; Gillian C. Lynch; Donald G. Truhlar; David W. Schwenke πŸ“‚ Article πŸ“… 1993 πŸ› Elsevier Science 🌐 English βš– 592 KB

A new potential energy surface (called 6SEC) obtained by iterative refinement of the previously published SSEC surface is presented. The new surface was obtained using accurate threedimensional quantum mechanical scattering calculations to test the effects of various modifications of the SSEC surfac