TY - JOUR AU - Vermeeren, Pascal AU - Hamlin, Trevor AU - Fernández López, Israel AU - Bickelhaupt, Matthias PY - 2020 DO - 10.1039/d0sc02901g SN - 2041-6520 UR - https://hdl.handle.net/20.500.14352/101618 T2 - Chemical Science AB - The Diels-Alder reactions between cyclopentadiene and various α,β-unsaturated aldehyde, imine, and iminium dienophiles were quantum chemically studied using a combined density functional theory and coupled-cluster theory approach. Simple iminium... LA - eng M2 - 8105 PB - Royal Society of Chemistry KW - Addition reactions KW - Aldehydes KW - Catalysts KW - Molecular orbitals KW - Numerical methods KW - Olefins TI - Origin of rate enhancement and asynchronicity in iminium catalyzed Diels–Alder reactions TY - journal article VL - 11 ER -