Time dependent density functional theory modeling of chiroptical properties of small amino acids in solution

Journal of Physical Chemistry A

Volumn 110, Issue 11, 2006, Pages 4115-4123

  Kundrat, Matthew D ^a   Autschbach, Jochen ^a  

^a UNIVERSITY AT BUFFALO   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CONDUCTOR-LIKE SCREENING MODEL (COSMO); DENSITY FUNCTIONAL THEORY; OPTICAL ROTATORY DISPERSION (ORD); ZWITTERIONS;

COMPUTER SIMULATION; CONFORMATIONS; HYDROGEN BONDS; MATHEMATICAL MODELS; OPTICAL PROPERTIES; PROBABILITY DENSITY FUNCTION;

AMINO ACIDS;

ALANINE; GLYCINE; PROLINE; SERINE;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; QUANTUM THEORY; SOLUTION AND SOLUBILITY; TIME;

ALANINE; COMPUTER SIMULATION; GLYCINE; MODELS, CHEMICAL; PROLINE; QUANTUM THEORY; SERINE; SOLUTIONS; TIME FACTORS;

EID: 33645781009     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp056694l     Document Type: Article

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