A Theoretical Study on the Photodissociation of Acetone: Insight into the Slow Intersystem Crossing and Exploration of Nonadiabatic Pathways to the Ground State

Journal of Physical Chemistry Letters - Tập 1 Số 12 - Trang 1841-1845 - 2010
Satoshi Maeda1,2, Koichi Ohno3, Keiji Morokuma4,1
1Fukui Institute for Fundamental Chemistry, Kyoto University, Kyoto 606-8103, Japan
2The Hakubi Center, Kyoto University, Kyoto 606-8103, Japan
3Toyota Physical and Chemical Research Institute, Nagakute, Aichi 480-1192, Japan
4Department of Chemistry and Cherry L. Emerson Center for Scientific Computation, Emory University, Atlanta, Georgia, 30322

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