Density functional calculation of structural and vibrational properties of glycerol

Journal of Physical Chemistry A

Volumn 104, Issue 22, 2000, Pages 5351-5357

  Chelli, Riccardo ^a   Gervasio, Francesco L ^a   Gellini, Cristina ^a   Procacci, Piero ^a   Cardini, Gianni ^a   Schettino, Vincenzo ^a  

^a NONE

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; CONFORMATIONS; ELECTRON DIFFRACTION; HYDROGEN BONDS; INFRARED SPECTROSCOPY; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; PROBABILITY DENSITY FUNCTION;

DENSITY FUNCTIONAL THEORY (DFT);

GLYCEROL;

EID: 0033747660     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0000883     Document Type: Article

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