Organic Chemistry Frontiers · 2020 · 10 citations · 70 references
Natural SciencesChemistryCatalysisComputational ChemistryOrganic ChemistryCatalytic MechanismsHeterocyclic ChemistryOrganic SynthesisReaction MechanismsCatalyst Structure - Activity RelationshipsReaction Mechanism Derivation
A unconventional reaction mechanism can be responsible for the regio- and diastereo-selectivities of rhodium-catalyzed ene-cycloisomerization of allylic-sulfide-tethered alkylidenecyclopropanes.
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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
Yan Zhao, Donald G. Truhlar · Theoretical Chemistry Accounts · 2007 · 30K citations · Full text
Natural Sciences, Chemistry, Physics +17