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Sven A. de Marothy Autocatalytic decomposition of carbonic acid International Journal of Quantum Chemistry 113

Version of Record online: 4 JUN 2013 | DOI: 10.1002/qua.24452

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Although the gas-phase instability of carbonic acid has long been known, previous theoretical investigations have indicated the possibility of gaseous carbonic acid being remarkably persistent in the absence of water. Here, a novel autocatalytic decomposition pathway is investigated using the coupled-cluster method. The results indicate that the rate-limiting step here is similar in energy to that of water-catalyzed decomposition reactions and significantly lower than for the uncatalyzed decomposition.

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