Vibrational frequencies of amides and amide dimers: The assessment of PW91XC functional

Journal of Physical Chemistry A

Volumn 108, Issue 35, 2004, Pages 7291-7300

  Papamokos, George V ^a   Demetropoulos, Ioannis N ^a  

^a UNIVERSITY OF IOANNINA   (Greece)

Author keywords

[No Author keywords available]

Indexed keywords

AMIDE DIMERS; AMIDES; GENERALIZED GRADIENT APPROXIMATIONS (GGA); VIBRATIONAL FREQUENCIES;

APPROXIMATION THEORY; DATA ACQUISITION; ELECTRONIC STRUCTURE; IMAGING TECHNIQUES; MONOMERS; POLYPEPTIDES; PROBABILITY DENSITY FUNCTION; RAMAN SPECTROSCOPY;

DIMERS;

EID: 4444311197     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp049563d     Document Type: Article

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