Calculation of a β-cyclodextrin-binaphthyl inclusion complex using density functional theory

Phase Transitions

Volumn 77, Issue 1-2, 2004, Pages 53-61

  Adeagbo, W A ^a   Buss, V ^a   Entel, P ^a  

^a UNIVERSITY OF DUISBURG ESSEN   (Germany)

Author keywords

Cyclodextrin 2,2 Dihydroxyl 1,1 binaphthyl inclusion complex; Density functional theory

Indexed keywords

COMPUTER SIMULATION; CONFORMATIONS; HYDROGEN BONDS; MATRIX ALGEBRA; OPTIMIZATION; PROBABILITY DENSITY FUNCTION;

DENSITY FUNCTIONAL THEORY; DICHROISM; GUEST MOLECULES; TIGHT-BINDING CODE;

MOLECULAR DYNAMICS;

EID: 11144340972     PISSN: 01411594     EISSN: None     Source Type: Journal    
DOI: 10.1080/01411590310001622473     Document Type: Conference Paper

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