Project supported by the Science Fund from Jilin University,China(Grant No.419080106440);the Chinese National Fusion Project for ITER(Grant No.2010GB104003);the National Natural Science Foundation of China(Grant No.10974069)
Quasi-classical trajectory (QCT) studies on the stereodynamics of H + BrO → O+ HBr reaction have been performed on the X1A' state of ab initio potential energy surface by Peterson [Peterson K A 2000 J. Chem. Phy...
supported by the Jilin University,China(Grant No.419080106440);the Chinese National Fusion Project for the International Thermonuclear Experimental Reactor(ITER)(Grant No.2010GB104003);the National Natural Science Foundation of China(Grant No.10974069)
A quasi-classical trajectory(QCT) calculation is used to investigate the vector and scalar properties of the D + Br O → DBr + O reaction based on an ab initio potential energy surface(X1A state) with collision ...
Project supported by the Fund from the Jilin University,China(Grant No.419080106440);the Chinese National Fusion Project for the International Thermonuclear Experimental Reactor(ITER)(Grant No.2010GB104003);the National Natural Science Foundation of China(Grant No.10974069)
In this paper, the stereodynamics of Li + DF → Li F + D reaction is investigated by the quasi-classical trajectory(QCT)method on the ^2A' potential energy surface(PES) at a relatively low collision energy of 8...
supported by the Natural Science Fund from Jilin University,China(Grant No.419080106440);the Chinese National Fusion Project for ITER(GrantNo.2010GB104003);the National Natural Science Foundation of China(Grant No.10974069)
Calculations on the dynamics of the reaction O( 1 D) + HBr --+ OH Br are performed on the ab initio potential energy surfaces (PESs) of the ground state given by Peterson [Peterson K A J. Chem. Phys. 113 4598 ...
Project supported by Jilin University,China(Grant No.419080106440);the Chinese National Fusion Project for ITER(Grant No.2010GB104003);the National Natural Science Foundation of China(Grant No.10974069)
We investigate the influence of reagent vibration on the stereodynamics of the title reaction by the quasi-classmal trajectory on the Aguado-Paniagua2-potential energy surface developed by Aguado et al. (J. Chem. Phy...