Abstract

Thepresent work is dedicated to the first theoretical study ofthe rotationally inelastic collisions of Ne with H2O andits isotopologue D2O in an attempt to analyze the effecton the dynamics of H substitution by deuterium. To this aim two newpotential energy surfaces are developed. Their quality is tested bycomputing the bound states of the complexes and comparing them withthose most recently reported by other teams. System-specific collisionalpropensity rules are inferred for these two systems by analyzing thecomputed state-to-state cross sections at low and higher collisionenergy. The application of the Alexander parity index propensity ruleis also discussed, and the present results are compared with thoseobtained for the collisions with other noble gases.