Interaction of hydrogen halides and water molecules with the isomers of C20 fullerene - A theoretical study

Journal of Molecular Structure

Volumn 828, Issue 1-3, 2007, Pages 154-161

  Praveena, G ^a   Kolandaivel, P ^a  

^a BHARATHIAR UNIVERSITY   (India)

Author keywords

Ab initio; C20 fullerenes; Density functional theory; Hydrogen halides; Water

Indexed keywords

CARRIER CONCENTRATION; COMPLEXATION; FULLERENES; HYDROGEN BONDS; ISOMERS; MOLECULAR STRUCTURE; PROBABILITY DENSITY FUNCTION; VAN DER WAALS FORCES;

HYDROGEN HALIDES; INTERACTION ENERGIES; NATURAL BOND ORBITAL (NBO); ORBITAL;

WATER;

EID: 33846609653     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2006.05.046     Document Type: Article

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