A theoretical perspective of the agostic effect in early transition metal compounds
Xuhui Lin, Wei Wu, Yirong Mo
Topics & Concepts
Agostic interactionChemistryNatural bond orbitalValence bond theoryComputational chemistryTransition metalAtoms in moleculesChemical physicsMoleculeMetalDensity functional theoryMolecular orbitalOrganic chemistryCatalysisOrganometallic Complex Synthesis and CatalysisCrystallography and molecular interactionsInorganic Chemistry and Materials