Four faces of the interaction between ions and aromatic rings.

Papp, Dóra; Rovó, Petra; Jákli, Imre; Császár, Attila G; Perczel, András

Papp, Dóra; Rovó, Petra; Jákli, Imre; Császár, Attila G; Perczel, András.

Afiliação

Papp D; MTA-ELTE Complex Chemical Systems Research Group, H-1518 Budapest 112, P.O. Box 32, Hungary.
Rovó P; Laboratory of Molecular Structure and Dynamics, Institute of Chemistry, Eötvös Loránd University, Pázmány Péter sétány 1/A, Budapest, H-1117, Hungary.
Jákli I; Department Chemie und Pharmazie, Ludwig-Maximilians-Universität München, Butenandstraße 5-11, Munich, D-81377, Germany.
Császár AG; MTA-ELTE Protein Modeling Research Group, Institute of Chemistry, Eötvös Loránd University, H-1518 Budapest 112, P.O. Box 32, Hungary.
Perczel A; MTA-ELTE Complex Chemical Systems Research Group, H-1518 Budapest 112, P.O. Box 32, Hungary.

J Comput Chem ; 38(20): 1762-1773, 2017 07 15.

Article em En | MEDLINE | ID: mdl-28488267

Palavras-chave

focal-point analysis of interaction energies; ion-aromatic-ring interaction; natural bond orbital analysis; non-covalent interaction

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Tipo de estudo: Qualitative_research Idioma: En Revista: J Comput Chem Assunto da revista: QUIMICA Ano de publicação: 2017 Tipo de documento: Article País de afiliação: Hungria

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