Aza-Michael Addition in Explicit Solvent: A Relative Energy Gradient-Interacting Quantum Atoms Study.

Cador, Aël; Tognetti, Vincent; Joubert, Laurent; Popelier, Paul L A

Cador, Aël; Tognetti, Vincent; Joubert, Laurent; Popelier, Paul L A.

Afiliação

Cador A; Normandy Univ., COBRA UMR 6014 & FR 3038, Université de Rouen, INSA Rouen, CNRS, 1 rue Tesnière, 76821, Mont St, Aignan Cedex, France.
Tognetti V; Normandy Univ., COBRA UMR 6014 & FR 3038, Université de Rouen, INSA Rouen, CNRS, 1 rue Tesnière, 76821, Mont St, Aignan Cedex, France.
Joubert L; Normandy Univ., COBRA UMR 6014 & FR 3038, Université de Rouen, INSA Rouen, CNRS, 1 rue Tesnière, 76821, Mont St, Aignan Cedex, France.
Popelier PLA; Department of Chemistry, The University of Manchester, Manchester, M13 9PL, Great Britain.

Chemphyschem ; 24(24): e202300529, 2023 Dec 14.

Article em En | MEDLINE | ID: mdl-37728125

Palavras-chave

Interacting quantum atoms; Mayr's electrophilicity; Michael addition; quantum theory of atoms-in-molecules; relative energy gradient

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Texto completo: 1 Base de dados: MEDLINE Idioma: En Revista: Chemphyschem Assunto da revista: BIOFISICA / QUIMICA Ano de publicação: 2023 Tipo de documento: Article País de afiliação: França

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