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Kinetics and dynamics of O + OClO reaction in a modified many-body expansion po...
Teixeira, O. B. M.; Marques, J. M. C.; Varandas, A. J. C.The ClO3 many-body expansion potential energy surface of Farantos and Murrell (Int J Quantum Chem 1978, 14, 659) has been modified along the minimum energy path for the reaction O + OClO rarr ClO + O2 such as to conform with the available kinetics data. The dynamics of the title reaction is also studied for temperatures of relevance in stratospheric chemistry. Two mechanisms for ClO + O2 formation are identifie...
Data: 2007
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Origem: Estudo Geral - Universidade de Coimbra
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