Variational Transition State Theory Studies on the Systems OCS,CO2 and CS2

Abstract

Abstract: In this paper, the variational transition state theory is first used to study the kinetics of exoergic reactions O+CS→CO+S, O+CO→CO+Oand S + CS→S+CSon the potential energy surface without any saddle point.The features in the kinetic bottleneck regions of these reactions are measured.The reaction rate constants are calculated, and those for the reaction O + CSare compared with the results obtained by the classical trajectory method and the experiment values.Our results are consistant with them.

Key words: Variational transition state theory, Kinetics, OCS system, Potential energy surface

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YANG Yu-Wei, JU Guan-Zhi. Variational Transition State Theory Studies on the Systems OCS,CO₂ and CS₂[J]. Chem. J. Chinese Universities, 1993, 14(8): 1143.

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Variational Transition State Theory Studies on the Systems OCS,CO₂ and CS₂

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