X-ray and ab initio studies of the structure and vibrational spectra of 4-carboxy-1-methylpyridinium chloride

Journal of Molecular Structure

Volumn 797, Issue 1-3, 2006, Pages 66-81

  Szafran, M ^a   Koput, J ^a   Dega Szafran, Z ^a   Katrusiak, A ^a  

^a ADAM MICKIEWICZ UNIVERSITY   (Poland)

Author keywords

4 Carboxy 1 methylpyridinium chloride; B3LYP; Electrostatic interactions; FTIR; Hydrogen bond; MP2 and MP3 calculations; Raman and NMR spectra; X ray diffraction

Indexed keywords

BOND STRENGTH (CHEMICAL); ELECTROSTATICS; FOURIER TRANSFORM INFRARED SPECTROSCOPY; HYDROGEN BONDS; MOLECULAR STRUCTURE; RAMAN SCATTERING; X RAY DIFFRACTION ANALYSIS;

4-CARBOXY-1-METHYLPYRIDINIUM CHLORIDE; B3LYP; ELECTROSTATIC INTERACTIONS; MP2 CALCULATIONS; MP3 CALCULATIONS;

CHLORINE COMPOUNDS;

EID: 33748559459     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2006.02.062     Document Type: Article

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