Time dependent density functional theory modeling of specific rotation and optical rotatory dispersion of the aromatic amino acids in solution

Journal of Physical Chemistry A

Volumn 110, Issue 47, 2006, Pages 12908-12917

  Kundrat, Matthew D ^a   Autschbach, Jochen ^a  

^a UNIVERSITY AT BUFFALO   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

OPTICAL ROTATORY DISPERSION (ORD); OPTICAL ROTATORY DISPERSIONS; TIME DEPENDENT DENSITY FUNCTIONAL THEORY (TDDFT); TRYPTOPHAN;

CARBOXYLIC ACIDS; ELECTROMAGNETIC DISPERSION; OPTICAL ROTATION; PH EFFECTS; PROBABILITY DENSITY FUNCTION;

AMINO ACIDS;

AROMATIC AMINO ACID;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; OPTICAL ROTATORY DISPERSION; PH; QUANTUM THEORY; SOLUTION AND SOLUBILITY; TIME;

AMINO ACIDS, AROMATIC; COMPUTER SIMULATION; HYDROGEN-ION CONCENTRATION; MODELS, CHEMICAL; OPTICAL ROTATORY DISPERSION; QUANTUM THEORY; SOLUTIONS; TIME FACTORS;

EID: 33846114315     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp064636+     Document Type: Article

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