The mechanism of the reaction between MAO and TMA: DFT study of the electronic structure and characterization of transition states for [AlOMe]6, [AlOMe]9 and [AlOMe]16 cages
Vinícius Esteves Teixeira, Paolo R. Livotto
Topics & Concepts
Intramolecular forceAdductChemistryMNDOMethylaluminoxaneCatalysisDensity functional theoryTransition stateActivation energyComputational chemistryReaction mechanismMoleculePhysical chemistryStereochemistryOrganic chemistryPolymerizationMetallocenePolymerMolecular Junctions and NanostructuresSynthesis and characterization of novel inorganic/organometallic compoundsCrystallography and molecular interactions