H atom transfer of collinear OH center dot center dot center dot O system

A quantum mechanical calculation was performed to study the hydrogen atom t ransfer of collinear OH ... O/OD ... O system, for which Delves' coordinate s and R-matrix propagation method were applied in a Melius-Blint potential energy surface. The calculation result showed that the state-state H atom t ransfer probability comported strong oscillation phenomena and collision de lay time of the title system was in the fs-ps time scale. The kinetic isoto pe effect was calculated in this work too.