Chemical Science · 2018 · 28 citations · 78 references
Natural SciencesChemistryComputational ChemistryPhysical ChemistryTheoretical ChemistryCoordination ChemistryReaction Mechanism AnalysisReaction MechanismsMechanistic ExplanationTransition Metal Nitrides
A combined experimental and computational investigation reveals that styrene aziridination by an iron(<sc>iv</sc>) nitride occurs by a stepwise mechanism involving multistate character.
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Density-functional thermochemistry. III. The role of exact exchange
Axel D. Becke · The Journal of Chemical Physics · 1993 · 102.8K citations
Natural Sciences, Chemistry, Physics +13