화학공학소재연구정보센터
Chemical Physics Letters, Vol.331, No.2-4, 132-136, 2000
Three-center semi-empirical potential energy surfaces for the reactions F+H(2)Oand F+OH
Three-center semi-empirical LEPS potential energy surfaces were constructed for the F + HX (X = OH) and F + OH reactions. Trajectory calculations on these surfaces reproduced quite well the available experimental results with regard to rate constants and vibrational state distributions of the products. The results are presented and discussed.