Theoretical study of inclusion complexes of dopamine with β-cyclodextrin based on PM6, ONIOM, and natural bonding orbital analysis

Canadian Journal of Chemistry

Volumn 89, Issue 12, 2011, Pages 1519-1524

  Djemil, Rayenne ^a   Khatmi, Djameleddine ^a  

^a UNIVERSITY OF GUELMA   (Algeria)

Author keywords

cyclodextrin; Dopamine; Inclusion complexes; Quantum mechanics

Indexed keywords

CD COMPLEX; DONOR-ACCEPTOR INTERACTION; DOPAMINE; INCLUSION COMPLEX; INCLUSION COMPLEXES; INTERMOLECULAR HYDROGEN BONDS; NATURAL BONDING ORBITALS; OPTIMUM POSITION; STABLE STRUCTURES; THEORETICAL STUDY;

HYDROGEN BONDS; PHENOLS; QUANTUM THEORY;

BRAIN;

EID: 82955201742     PISSN: 00084042     EISSN: None     Source Type: Journal    
DOI: 10.1139/v11-129     Document Type: Article

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