Intramolecular hydrogen bond energy and cooperative interactions in α-, β-, and γ-cyclodextrin conformers

Journal of Computational Chemistry

Volumn 32, Issue 14, 2011, Pages 2996-3004

  Deshmukh, Milind M ^a,b   Bartolotti, Libero J ^c   Gadre, Shridhar R ^a,d  

^a UNIVERSITY OF PUNE   (India)

^b KYOTO UNIVERSITY   (Japan)

^c EAST CAROLINA UNIVERSITY   (United States)

^d INDIAN INSTITUTE OF TECHNOLOGY KANPUR   (India)

Author keywords

cooperativity; cyclodextrins; intramolecular hydrogen bond energy

Indexed keywords

ACCURATE ESTIMATION; CDS; COOPERATIVE INTERACTIONS; COOPERATIVITY; ENERGY CONTRIBUTION; EXTENDED SYSTEMS; H-BOND STRENGTH; H-BONDED; H-BONDS; HYDROXYL GROUPS; INTRAMOLECULAR HYDROGEN BOND; INTRAMOLECULAR HYDROGEN BOND ENERGY; MOLECULAR TAILORING;

BOND STRENGTH (MATERIALS); CYCLODEXTRINS; HYDROGEN; SUGARS;

HYDROGEN BONDS;

ALPHA CYCLODEXTRIN DERIVATIVE; BETA CYCLODEXTRIN DERIVATIVE; GAMMA CYCLODEXTRIN DERIVATIVE;

ARTICLE; CHEMISTRY; CONFORMATION; HYDROGEN BOND; QUANTUM THEORY;

ALPHA-CYCLODEXTRINS; BETA-CYCLODEXTRINS; GAMMA-CYCLODEXTRINS; HYDROGEN BONDING; MOLECULAR CONFORMATION; QUANTUM THEORY;

EID: 80052029591     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.21881     Document Type: Article

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