Role of conformational structures and torsional anharmonicity in controlling chemical reaction rates and relative yields: butanal + HO2 reactions†
Abstract
* Corresponding authors
a
Department of Chemistry and Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota 55455-0431, USA
E-mail:
truhlar@umn.edu
J. Zheng, P. Seal and D. G. Truhlar, Chem. Sci., 2013, 4, 200 DOI: 10.1039/C2SC21090H
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