Electronic structure and normal vibrations in (+)-catechin and (-)-epicatechin encapsulated β-cyclodextrin

Journal of Physical Chemistry A

Volumn 114, Issue 29, 2010, Pages 7725-7732

  Khedkar, Jayshree K ^a   Gobre, Vivekanand V ^a   Pinjari, Rahul V ^a   Gejji, Shridhar P ^a  

^a UNIVERSITY OF PUNE   (India)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING PATTERN; BOND CRITICAL POINTS; BONDED INTERACTIONS; ELECTRON DENSITY MAPS; EPICATECHIN; FLAVAN-3-OLS; FREE STATE; FREQUENCY SHIFT; HOST GUEST INTERACTIONS; INFRARED SPECTRUM; MINIMUM ENERGY; MOLECULAR ELECTRON DENSITY TOPOGRAPHY; NATURAL BOND ORBITAL ANALYSIS; NMR DATA; NORMAL VIBRATIONS; PHENOL RINGS;

CARRIER CONCENTRATION; CHEMICAL BONDS; COMPLEXATION; DENSITY FUNCTIONAL THEORY; DRUG INTERACTIONS; ELECTRON DENSITY MEASUREMENT; ELECTRONIC STRUCTURE; EQUATIONS OF STATE; INFRARED SPECTROSCOPY; ORGANIC COMPOUNDS; PHENOLS; VIBRATION ANALYSIS;

DATA STORAGE EQUIPMENT;

BETA CYCLODEXTRIN; BETA CYCLODEXTRIN DERIVATIVE; CATECHIN;

ARTICLE; CHEMISTRY; ELECTRON; HYDROGEN BOND; INFRARED SPECTROPHOTOMETRY; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; QUANTUM THEORY; STEREOISOMERISM; VIBRATION;

BETA-CYCLODEXTRINS; CATECHIN; ELECTRONS; HYDROGEN BONDING; MAGNETIC RESONANCE SPECTROSCOPY; QUANTUM THEORY; SPECTROPHOTOMETRY, INFRARED; STEREOISOMERISM; VIBRATION;

EID: 77954916998     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp102304j     Document Type: Article

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