Quasiclassical trajectory study on the integral cross-section and stereodynamics information of the reaction O ( 1 D) + H 2 (v = 0, j = 0 ) → OH + H

The D+H2(v=1,j)→HD(v′,j′)+H reaction. A detailed quasiclassical trajectory study

Stereodynamics Study of the Reaction of O(3P) with CH4 (v = 0, j = 0)

A new London-Eyring-Polanyi-Sato (LEPS) potential energy surface (PES) is used in the O + CH(4) --> OH + CH(3) reaction via the quasiclassical trajectory method (QCT). Comparing with the experiments and the former ab initio calculations, the new LEPS PES describes the actual potential energy surface of the O + CH(4) reaction successfully. The four polarization dependent "generalized" differenti...

Quasiclassical state to state reaction cross sections for D+H2(v=0, j=0)→HD(v′,j′)+H. Formation and characteristics of shortlived collision complexes

On the dynamics of the H+ +D2(v=0,j=0)-->HD+D + reaction: a comparison between theory and experiment.

The H+ +D2(v=0,j=0)-->HD+D + reaction has been theoretically investigated by means of a time independent exact quantum mechanical approach, a quantum wave packet calculation within an adiabatic centrifugal sudden approximation, a statistical quantum model, and a quasiclassical trajectory calculation. Besides reaction probabilities as a function of collision energy at different values of the tot...

Quasiclassical trajectory study of the dynamics of the H + N 2 O reaction on a new potential energy surface