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Multi-structural variational transition state theory: kinetics of the 1,5-hydrogen shift isomerization of the 1-butoxyl radical including all structures and torsional anharmonicity

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Department of Chemistry and Supercomputing Institute, University of Minnesota, Minneapolis, USA
E-mail: truhlar@umn.edu
Phys. Chem. Chem. Phys., 2012,14, 4204-4216

DOI: 10.1039/C2CP23692C
Received 22 Nov 2011, Accepted 16 Jan 2012
First published online 16 Jan 2012
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