Article Dans Une Revue Journal of Computational Chemistry Année : 2021

Understanding the intermolecular Diels–Alder cycloaddition promotion: Activation strain model/energy decomposition analysis model and conceptual density functional theory viewpoints

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hal-03279437 , version 1 (06-07-2021)

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Lynda Merzoud, Frédéric Guégan, Henry Chermette, Christophe Morell. Understanding the intermolecular Diels–Alder cycloaddition promotion: Activation strain model/energy decomposition analysis model and conceptual density functional theory viewpoints. Journal of Computational Chemistry, 2021, 42 (19), pp.1364-1372. ⟨10.1002/jcc.26548⟩. ⟨hal-03279437⟩
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