The Na + HF reactive probabilities calculations using two different potential energy surfaces -- Web of Science 5.0

The Na + HF reactive probabilities calculations using two different potential energy surfaces
Lopez LEE, Gargano R, Mundim KC, Neto JJS
CHEMICAL PHYSICS LETTERS
361 (3-4): 271-276 JUL 30 2002

Document type: Article

Language: English

Cited References: 17

Abstract:
The Na + HF reactive probabilities calculations considering two different potential energy surfaces: Bond order 5 (BO5) and generalized simulated annealing (GSA) are presented. From a comparison between the results of those calculations it was verified that the main features found for the GSA reactive probabilities (RP) agree with those found for the BO5 RP. (C) 2002 Published by Elsevier Science B.V.

KeyWords Plus:
QUANTUM REACTIVE SCATTERING, OPTIMIZATION, BEHAVIOR, SURFACE

Addresses:
Gargano R, Univ Brasilia, Inst Fis, Caixa Postal 04455, BR-70919970 Brasilia, DF, Brazil
Univ Brasilia, Inst Fis, BR-70919970 Brasilia, DF, Brazil

Publisher: ELSEVIER SCIENCE BV, AMSTERDAM

ISSN: 0009-2614