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Electronic structure analysis of multistate reactivity in transition metal catalyzed reactions: the case of C–H bond activation by non-heme iron(iv)–oxo cores
Shengfa Ye, Caiyun Geng, Sason Shaik, Frank Neese (2013). Electronic structure analysis of multistate reactivity in transition metal catalyzed reactions: the case of C–H bond activation by non-heme iron(iv)–oxo cores. Physical Chemistry Chemical Physics, 15(21), pp. 8017-8017, DOI: 10.1039/c3cp00080j.
Article169 days agoUnderstanding the Nature of the CH···HC Interactions in Alkanes
David Danovich, Sason Shaik, Frank Neese, Jorge Echeverría, Gabriel Aullón, Santiago Álvarez (2013). Understanding the Nature of the CH···HC Interactions in Alkanes. Journal of Chemical Theory and Computation, 9(4), pp. 1977-1991, DOI: 10.1021/ct400070j.
Article169 days ago