Ab initio calculations on low-energy conformers of α-cyclodextrin

Journal of Physical Chemistry A

Volumn 111, Issue 48, 2007, Pages 12127-12135

  Anconi, Cleber P A ^a   Nascimento Jr , Clebio S ^a   Fedoce Lopes, Juliana ^a   Dos Santos, Hélio F ^b   De Almeida, Wagner B ^a  

^a Belo Horizonte   (Brazil)

^b Campus Universitário   (Brazil)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRON CORRELATION; ENERGY STRUCTURES; GAS-PHASE EQUILIBRIUM; HARTREE-FOCK (HF);

CONFORMATIONS; DENSITY FUNCTIONAL THEORY; HYDROGEN BONDS; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY; THERMODYNAMICS;

CYCLODEXTRINS;

ALPHA CYCLODEXTRIN; ALPHA CYCLODEXTRIN DERIVATIVE; ALPHA-CYCLODEXTRIN; UNCLASSIFIED DRUG;

ALGORITHM; ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; PHASE TRANSITION; QUANTUM THEORY; THERMODYNAMICS;

ALGORITHMS; ALPHA-CYCLODEXTRINS; MODELS, CHEMICAL; MODELS, MOLECULAR; MOLECULAR CONFORMATION; PHASE TRANSITION; QUANTUM THEORY; THERMODYNAMICS;

EID: 37249026246     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0762424     Document Type: Article

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