A quasiclassical trajectory study of angular and internal state distributions in H+H2O and H+D2O at E-T=1.4 eV

We present angular and product state distributions for the title reactions based on quasiclassical trajectory calculations and employing the Wu et al. (WSLFH) potential energy surface. At E-r = 1.4 eV, the angular and OH rovi brational distributions accurately describe recent experiments, improving u pon previous results based on the Ochoa and Clary (OC) surface that show hi gher rotational excitation. Results for OD are similar, though somewhat les s quantitative in the case of the OD(N ' = 1) state specific angular distri bution. Both isotopes show a backward shift in the angular distribution wit h increasing OH(OD) rotational excitation. Agreement with experiments is al so observed for the OH rotational alignment coefficient. (C) 2001 Elsevier Science B.V. All rights reserved.