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Chuanzhi Sun, Kui Wang, Haitao Sun, Nan Sun and Dezhan Chen A DFT study on a mutipathways, one product reaction: Initially divergent radical reactions reconverge to form a single product International Journal of Quantum Chemistry 114

Version of Record online: 13 MAR 2014 | DOI: 10.1002/qua.24653

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Divergent steps usually control the stereoselectivity of a reaction. Thus, if there is no selectivity in the initially divergent step, the overall reaction should always be nonselective. To challenge this view, the mechanism for an initially divergent radical reaction that reconverges to form a single product is studied using density functional theory.

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