The dynamics of the Cl + HD reaction has been studied by means of quasi-classical trajectory calculations on BW2 potential energy surface. The integral cross-sections versus collision energy and the DCl/HCl product branching ratios calculated quasi-classically on BW2 potential energy surface predict a clear preference to the production of DCl over HCl, The computed results also show that the integral cross-sections and the DCl/HCl product branching ratios strongly depend on the initial rotational quantum numbers j and the vibrational quantum numbers v, The calculated results are in reasonable agreement with experimental data, and some other theoretical results as well. (C) 2001 Elsevier Science B,V. All rights reserved
Quasi-classical trajectory (QCT) method is carried out to calculate the dynamics of the H + LiH (v ...
The paper presents a theoretical study of the dynamics of the H + HCl system on the potential energy...
The dynamics of the Cl + HD reaction has been studied by means of time-dependent quantum wave packet...
The dynamics of the Cl + HD reaction has been studied by means of quasiclassical trajectory calculat...
Studies on the dynamical stereochemistry of the Cl+H-2 reaction and its isotopic variants, especiall...
Quasi-classical trajectory (QCT) calculations on the H++H-2 reaction system were carried out on a ne...
The dynamics of the title reaction are investigated using both time-dependent wave packet quantum sc...
Experimental and theoretical differential cross sections for the reactions between Cl atoms and two ...
Quasi-classical trajectory (QCT) calculations are carried out for the title reactions on the potenti...
OCl/OH product branching ratios are calculated as a function of total energy for the O(1D) + HCl rea...
Experimental and theoretical differential cross sections for the reactions between Cl atoms and two ...
The angular momentum polarization and rotational state distributions of the H-2 and HCl products fro...
Full-dimensional quantum dynamical calculations are carried out to study the mode specificity, bond ...
We present in this paper a time-dependent quantum wave packet calculation of the initial state selec...
Full-dimensional quantum dynamical calculations are carried out to study the mode specificity, bond ...
Quasi-classical trajectory (QCT) method is carried out to calculate the dynamics of the H + LiH (v ...
The paper presents a theoretical study of the dynamics of the H + HCl system on the potential energy...
The dynamics of the Cl + HD reaction has been studied by means of time-dependent quantum wave packet...
The dynamics of the Cl + HD reaction has been studied by means of quasiclassical trajectory calculat...
Studies on the dynamical stereochemistry of the Cl+H-2 reaction and its isotopic variants, especiall...
Quasi-classical trajectory (QCT) calculations on the H++H-2 reaction system were carried out on a ne...
The dynamics of the title reaction are investigated using both time-dependent wave packet quantum sc...
Experimental and theoretical differential cross sections for the reactions between Cl atoms and two ...
Quasi-classical trajectory (QCT) calculations are carried out for the title reactions on the potenti...
OCl/OH product branching ratios are calculated as a function of total energy for the O(1D) + HCl rea...
Experimental and theoretical differential cross sections for the reactions between Cl atoms and two ...
The angular momentum polarization and rotational state distributions of the H-2 and HCl products fro...
Full-dimensional quantum dynamical calculations are carried out to study the mode specificity, bond ...
We present in this paper a time-dependent quantum wave packet calculation of the initial state selec...
Full-dimensional quantum dynamical calculations are carried out to study the mode specificity, bond ...
Quasi-classical trajectory (QCT) method is carried out to calculate the dynamics of the H + LiH (v ...
The paper presents a theoretical study of the dynamics of the H + HCl system on the potential energy...
The dynamics of the Cl + HD reaction has been studied by means of time-dependent quantum wave packet...