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Himanshu Mishra, Robert J. Nielsen, Shinichi Enami, Michael R. Hoffmann, Agustín J. Colussi and William A. Goddard III Quantum chemical insights into the dissociation of nitric acid on the surface of aqueous electrolytes International Journal of Quantum Chemistry 113

Version of Record online: 31 MAY 2012 | DOI: 10.1002/qua.24151

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Dissociation of nitric acid at the surface of aqueous electrolytes pertains to vital atmospheric phenomena, but the underlying mechanisms remain uncertain. Quantum mechanical calculations are reported showing that interfacial anions catalyze proton transfer from HNO3(g) to the surface of water. Catalysis arises from the electrostatic reorganization of interfacial water molecules in the presence of anions.

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