Theoretical rate coefficients for the exchange reaction OH + D--> OD + H |
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Authors: | Wang Wenli Santos Emanuel Brandão João |
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Affiliation: | Departamento Química e Bioquímica, FCT, Universidade do Algarve, Campus de Gambelas, Faro, Portugal. |
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Abstract: | In this work quasiclassical trajectory calculations were carried out to determine directly the rate coefficients for the isotopic exchange reaction, OH + D-->OD + H, using a potential-energy surface that carefully accounts for the long-range interactions. The calculated thermal rate coefficients are in good agreement with the experimental results. |
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