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Energetics and electronics of polar Diels–Alder reactions at the atomic level: QTAIM and IQA analyses of complete IRC paths

Lucas Freitas Feitosa, Renan B. Campos, Wagner E. Richter

2022Journal of Molecular Graphics and Modelling11 citationsDOI

Topics & Concepts

ChemistryAtoms in moleculesSynchronicityPericyclic reactionChemical physicsDensity functional theoryComputational chemistryElectronic structureTopology (electrical circuits)MoleculeEpistemologyMathematicsPhilosophyOrganic chemistryCombinatoricsFree Radicals and AntioxidantsOrganic Chemistry Cycloaddition ReactionsAdvanced Chemical Physics Studies
Energetics and electronics of polar Diels–Alder reactions at the atomic level: QTAIM and IQA analyses of complete IRC paths | Litcius