Designing Force Probes Based on Reversible 6&#960;-Electrocyclizations in Polyenes Using Quantum Chemical Calculations.

Designing Force Probes Based on Reversible 6π-Electrocyclizations in Polyenes Using Quantum Chemical Calculations.

Bettens, Tom; Eeckhoudt, Jochen; Hoffmann, Marvin; Alonso, Mercedes; Geerlings, Paul; Dreuw, Andreas; De Proft, Frank.

Afiliação

Bettens T; Eenheid Algemene Chemie (ALGC), Vrije Universiteit Brussel (VUB), Pleinlaan 2, 1050 Brussels, Belgium.
Eeckhoudt J; Eenheid Algemene Chemie (ALGC), Vrije Universiteit Brussel (VUB), Pleinlaan 2, 1050 Brussels, Belgium.
Hoffmann M; Interdisciplinary Center for Scientific Computing, Ruprecht-Karls University, Im Neuenheimer Feld 205A, D-69120 Heidelberg, Germany.
Alonso M; Eenheid Algemene Chemie (ALGC), Vrije Universiteit Brussel (VUB), Pleinlaan 2, 1050 Brussels, Belgium.
Geerlings P; Eenheid Algemene Chemie (ALGC), Vrije Universiteit Brussel (VUB), Pleinlaan 2, 1050 Brussels, Belgium.
Dreuw A; Interdisciplinary Center for Scientific Computing, Ruprecht-Karls University, Im Neuenheimer Feld 205A, D-69120 Heidelberg, Germany.
De Proft F; Eenheid Algemene Chemie (ALGC), Vrije Universiteit Brussel (VUB), Pleinlaan 2, 1050 Brussels, Belgium.

J Org Chem ; 86(11): 7477-7489, 2021 Jun 04.

Article em En | MEDLINE | ID: mdl-33988028

Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2021 Tipo de documento: Article

Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2021 Tipo de documento: Article