Add to ORKGInternational audienceQuasi-classical trajectory (QCT) calculations have been carried out for the C + OH -> CO + H reaction using a recent ab initio potential energy surface (PES). Integral cross sections and rate constants have been determined for a wide range of collision energies and temperatures. For the O + OH -> O2 + H reaction, the J=0 reaction probabilities have been determined accurately using a quantum method on a new PES. The rate constant obtained using a J-shifting method is consistent with the experimental one and is significantly lower at temperature range below 30 K
International audienceThe dynamics of the C(P-3)+OH(X-2 Pi) -> CO(a(3)Pi)+H(S-2) on its second excit...
Angular distributions and pair-correlated translational energy distributions have been measured for ...
A practical quantum-dynamical method is described for predicting accurate rate constants for general...
Reaction probabilities, total reaction cross sections as a function of collision energy, and rate co...
We present accurate quantum calculations of the integral cross section and rate constant for the H +...
International audienceFirst quasiclassical trajectory calculations have been carried out for the C(3...
International audienceQuasi-classical trajectory (QCT) calculations have been carried out for the re...
International audienceWe report the first theoretical determination of cross sections and rate const...
12 págs.; 12 figs.; 1 tab.; Special Issue: Dynamics of Molecular Collisions XXV: Fifty Years of Chem...
The dynamics of the title reaction are investigated using both the time-dependent quantum wave packe...
For chemistry networks describing the reactions for the early universe and especially for accuratemo...
Accurate quantum reactive scattering time-dependent wave packet close-coupling calculations have bee...
Quasi-classical trajectory (QCT) calculations on the H++H-2 reaction system were carried out on a ne...
The kinetics of OH formation for the reaction C2H5CO + O2 have been studied at 298 K using the low-p...
International audienceNew accurate theoretical rate coefficients for (de)-excitation and charge tran...
International audienceThe dynamics of the C(P-3)+OH(X-2 Pi) -> CO(a(3)Pi)+H(S-2) on its second excit...
Angular distributions and pair-correlated translational energy distributions have been measured for ...
A practical quantum-dynamical method is described for predicting accurate rate constants for general...
Reaction probabilities, total reaction cross sections as a function of collision energy, and rate co...
We present accurate quantum calculations of the integral cross section and rate constant for the H +...
International audienceFirst quasiclassical trajectory calculations have been carried out for the C(3...
International audienceQuasi-classical trajectory (QCT) calculations have been carried out for the re...
International audienceWe report the first theoretical determination of cross sections and rate const...
12 págs.; 12 figs.; 1 tab.; Special Issue: Dynamics of Molecular Collisions XXV: Fifty Years of Chem...
The dynamics of the title reaction are investigated using both the time-dependent quantum wave packe...
For chemistry networks describing the reactions for the early universe and especially for accuratemo...
Accurate quantum reactive scattering time-dependent wave packet close-coupling calculations have bee...
Quasi-classical trajectory (QCT) calculations on the H++H-2 reaction system were carried out on a ne...
The kinetics of OH formation for the reaction C2H5CO + O2 have been studied at 298 K using the low-p...
International audienceNew accurate theoretical rate coefficients for (de)-excitation and charge tran...
International audienceThe dynamics of the C(P-3)+OH(X-2 Pi) -> CO(a(3)Pi)+H(S-2) on its second excit...
Angular distributions and pair-correlated translational energy distributions have been measured for ...
A practical quantum-dynamical method is described for predicting accurate rate constants for general...