DFT and PM3 calculations of the formation enthalpies and intramolecular H-bond energies in α-, β-, and γ-cyclodextrins

Russian Journal of Physical Chemistry A

Volumn 79, Issue SUPPL.1, 2005, Pages

  Avakyan, V G ^a   Nazarov, V B ^b   Voronezheva, N I ^a  

^a PHOTOCHEMISTRY CENTER   (Russian Federation)

^b INSTITUTE OF PROBLEMS OF CHEMICAL PHYSICS   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

CRYSTAL ORIENTATION; GLUCOSE; HYDROGEN; HYDROGEN BONDS; OPTIMIZATION;

INTERGLUCOSE HYDROGEN BONDS;

ENTHALPY;

EID: 28444496669     PISSN: 00360244     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

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