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A more accurate potential energy surface and quantum mechanical cross section calculations for the F + H2 reaction: Chem. Phys. Letters 213 (1993) 10

✍ Scribed by S.L. Mielke; G.C. Lynch; D.G. Truhlar; D.W. Schwenke

Publisher
Elsevier Science
Year
1994
Tongue
English
Weight
89 KB
Volume
217
Category
Article
ISSN
0009-2614

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πŸ“œ SIMILAR VOLUMES

A more accurate potential energy surface
A more accurate potential energy surface and quantum mechanical cross section calculations for the F+ H2 reaction
✍ 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

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Quantum-mechanical cross sections for the D + H2 and H + D2 reactive systems. Application of the negative imaginary potentials within the jz approximation: (Chem. Phys. Letters 212 (1993) 649)
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An error was detected in fig. where quantum-mechanical cross sections were compared with quasi-classical trajectory ones. The quasi-classical results were cited from ref. [ 1 ] and not from the one specified in the publication.