Resolution of identity density functional theory augmented with an empirical dispersion term (RI-DFT-D): A promising tool for studying isolated small peptides

Journal of Physical Chemistry A

Volumn 111, Issue 6, 2007, Pages 1146-1154

  Černý, Jiřǐ ^a   Jurečka, Petr ^b   Hobza, Pavel ^a,b   Valdés, Haydée ^a  

^a INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY   (Czech Republic)

^b PALACKÝ UNIVERSITY   (Czech Republic)

Author keywords

[No Author keywords available]

Indexed keywords

CENTRAL PROCESSING UNITS (CPU); EMPIRICAL DISPERSION; OLIGOPEPTIDES; QUANTUM CHEMICAL CALCULATIONS;

INFRARED RADIATION; NATURAL FREQUENCIES; POLYPEPTIDES; QUANTUM THEORY;

PROBABILITY DENSITY FUNCTION;

DIPEPTIDE; GLYCYLTRYPTOPHAN; OLIGOPEPTIDE; TRYPTOPHYL GLYCYL GLYCINE; TRYPTOPHYL-GLYCYL-GLYCINE; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; INFRARED SPECTROPHOTOMETRY; ISOLATION AND PURIFICATION; METHODOLOGY; QUANTUM THEORY; SENSITIVITY AND SPECIFICITY; THERMODYNAMICS;

DIPEPTIDES; MODELS, CHEMICAL; OLIGOPEPTIDES; QUANTUM THEORY; SENSITIVITY AND SPECIFICITY; SPECTROPHOTOMETRY, INFRARED; THERMODYNAMICS;

EID: 33847348446     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp066504m     Document Type: Article

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