Vibrational circular dichroism within the polarizable continuum model: A theoretical evidence of conformation effects and hydrogen bonding for (S)-(-)-3-butyn-2-ol in CCl4 solution

Journal of Physical Chemistry A

Volumn 106, Issue 51, 2002, Pages 12331-12339

  Cappelli, Chiara ^a   Corni, Stefano ^b   Mennucci, Benedetta ^a   Cammi, Roberto ^c   Tomasi, Jacopo ^a  

^a UNIVERSITY OF PISA   (Italy)

^b SCUOLA NORMALE SUPERIORE   (Italy)

^c UNIVERSITY OF PARMA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC PHYSICS; CARBON TETRACHLORIDE; COMPOSITION EFFECTS; CONFORMATIONS; DIELECTRIC PROPERTIES; HYDROGEN BONDS; INFRARED SPECTROSCOPY; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; MOLECULAR VIBRATIONS; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY;

ATOMIC ORBITALS; CONFORMATION EFFECTS; DIELECTRIC ENVIRONMENT EFFECTS; POLARIZABLE CONTINUUM MODEL; SOLVATION MODEL; VIBRATIONAL CIRCULAR DICHROISM;

ALCOHOLS;

EID: 84962338650     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp021273e     Document Type: Article

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