✦ LIBER ✦

Comment ON “A modified LEPS potential energy surface for the F+H2 reaction” by T. Takayanagi and S. Sato

✍ Scribed by F.E. Budenholzer; D.C. Jeng

Publisher: Elsevier Science
Year: 1989
Tongue: English
Weight: 319 KB
Volume: 156
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(89)87118-0

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✦ Synopsis

mass velocity flux contour maps are calculated from quasiclassical trajectory results for the F + H2 reaction at a relative translation energy of 3.0 kcal/mol. Results using a modified LEPS surface (T. Takayanagi and S. Sato, Chem. Phys. Letters 144 ( 1988) 191) and the number five surface of Muckerman (Theoreticat chemistry: advances and perspectives, Vol. 6A ( 1981) p, 1) are presented. Neither surface gives results in qualitative agreement with experiment.

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