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6 p, 1.4 MB Halide Abstraction Competes with Oxidative Addition in the Reactions of Aryl Halides with [Ni(PMePh)] / Funes-Ardoiz, Ignacio (Institut Català d'Investigació Química) ; Nelson, David J. (University of Strathclyde) ; Maseras Cuní, Feliu (Universitat Autònoma de Barcelona. Departament de Química)
Density functional theory (DFT) calculations have been used to study the oxidative addition of aryl halides to complexes of the type [Ni(PMePh)], revealing the crucial role of an open-shell singlet transition state for halide abstraction. [...]
2017 - 10.1002/chem.201702331
Chemistry, Vol. 23, Issue 66 (November 2017) , p. 16728-16733  
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1 Nelson, David
1 Nelson, David L.
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