Polarizable continuum model (PCM) calculations of solvent effects on optical rotations of chiral molecules

Journal of Physical Chemistry A

Volumn 106, Issue 25, 2002, Pages 6102-6113

  Mennucci, B ^a   Tomasi, J ^a   Cammi, R ^b   Cheeseman, J R ^c   Frisch, M J ^c   Devlin, F J ^d   Gabriel, S ^d   Stephens, P J ^d  

^a UNIVERSITY OF PISA   (Italy)

^b UNIVERSITY OF PARMA   (Italy)

^c GAUSSIAN INC   (United States)

^d UNIVERSITY OF SOUTHERN CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPOSITION EFFECTS; CONFORMATIONS; ELECTROSTATICS; MATHEMATICAL MODELS; MOLECULAR STRUCTURE; NUMERICAL ANALYSIS; OPTICAL PROPERTIES; PROBABILITY DENSITY FUNCTION; SOLVENTS;

CHIRAL MOLECULES; OPTICAL ROTATIONS; POLARIZABLE CONTINUUM MODEL;

MOLECULES;

EID: 0037182654     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp020124t     Document Type: Article

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