Role of hydrogen bonding interactions within of the conformational preferences of calix[n = 4,6,8]arene: DFT and QTAIM analysis.

Gassoumi, Bouzid; Chaabene, Marwa; Ghalla, Houcine; Chaabane, Rafik Ben

Gassoumi, Bouzid; Chaabene, Marwa; Ghalla, Houcine; Chaabane, Rafik Ben.

Afiliação

Gassoumi B; Laboratory of Advanced Materials and Interfaces (LIMA), Faculty of Science of Monastir, University of Monastir, Avenue of Environment, 5000, Monastir, Tunisia. gassoumibouzid2016@gmail.com.
Chaabene M; Institute of Light and Matter, UMR5306, University of Lyon, 69622 Villeurbanne Cedex, Lyon, France. gassoumibouzid2016@gmail.com.
Ghalla H; Laboratory of Advanced Materials and Interfaces (LIMA), Faculty of Science of Monastir, University of Monastir, Avenue of Environment, 5000, Monastir, Tunisia.
Chaabane RB; Quantum Physics Laboratory, Faculty of Science, University of Monastir, 5079, Monastir, Tunisia.

J Mol Model ; 26(1): 12, 2019 Dec 13.

Article em En | MEDLINE | ID: mdl-31834480

Palavras-chave

Calix[n]arene; Cooperativity; Hydrogen bond; Intermolecular interactions; Molecular electrostatic potential

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: J Mol Model Assunto da revista: BIOLOGIA MOLECULAR Ano de publicação: 2019 Tipo de documento: Article País de afiliação: Tunísia

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