Seven-degree-of-freedom, quantum scattering dynamics study of the H2D+ + H2 reaction.

Abstract

A quantum scattering dynamics, time-dependent wavepacket propagation method is applied to study the reaction of H(2)D(+)+H(2)-->H(3)(+)+HD on the Xie-Braams-Bowman potential energy surface. The reduced-dimensional, seven-degree-of-freedom approach is employed in this calculation by fixing one Jacobi and one torsion angle related to H(2)D(+) at the lowest… (More)
DOI: 10.1063/1.3329730

Topics

Cite this paper

@article{Wang2010SevendegreeoffreedomQS, title={Seven-degree-of-freedom, quantum scattering dynamics study of the H2D+ + H2 reaction.}, author={Dunyou Wang and Zhen Xie and Joel M. Bowman}, journal={The Journal of chemical physics}, year={2010}, volume={132 8}, pages={084305} }