Jean-Claude Rayez

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The kinetics and the mechanism of the reaction CH(3)C(O)O(2)+ HO(2) were reinvestigated at room temperature using two complementary approaches: one experimental, using flash photolysis/UV absorption(More)
In this paper, molecular dynamic simulations are used to study the adsorption of water molecules on partially oxidized graphite surfaces containing COOH and OH sites. More specially, the competition(More)
The dynamics of the singlet channel of the Si+O(2)-->SiO+O reaction is investigated by means of quasiclassical trajectory (QCT) calculations and two statistical based methods, the statistical quantum(More)
First quasiclassical trajectory calculations have been carried out for the C(3P)+OH(X 2Pi)-->CO(X 1Sigma+)+H(2S) reaction using a recent ab initio potential energy surface for the ground electronic(More)
The density functional theory with the BH&HLYP functional has been used in this work to clarify discrepancies found in the literature about the effect of the increasing carbon chain on the reactivity(More)
In the first part of this series, we proposed a statisticodynamical approach of state distributions in the products of four-atom planar unimolecular reactions governed by short-range forces. In this(More)