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Three-state surface hopping calculations of acetaldehyde photodissociation to CH3 + HCO on ab initio potential surfaces

Bina Fu,a   Yongchang Hana and   Joel M. Bowman*a  
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Department of Chemistry and Cherry L. Emerson Center for scientific computation Emory University, Atlanta, Georgia
E-mail: jmbowma@emory.edu
Faraday Discuss., 2012,157, 27-39

DOI: 10.1039/C2FD20010D
Received 24 Jan 2012, Accepted 29 Feb 2012
First published online 29 Feb 2012

This article is part of themed collection: Molecular Reaction Dynamics in Gases, Liquids and Interfaces
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