화학공학소재연구정보센터
Chemical Physics Letters, Vol.361, No.3-4, 271-276, 2002
The Na + HF reactive probabilities calculations using two different potential energy surfaces
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.