Vibrational spectroscopic and quantum chemical study of the chlorine substitution of pyrazine

Journal of Molecular Structure: THEOCHEM

Volumn 633, Issue 1, 2003, Pages 73-82

  Endrédi, Henrietta ^a   Billes, Ferenc ^a   Holly, Sándor ^b  

^a BUDAPEST UNIVERSITY OF TECHNOLOGY AND ECONOMICS   (Hungary)

^b CHEMICAL RESEARCH CENTER   (Hungary)

Author keywords

Chloropyrazines; DFT Becke3P86; Isotopic effect; Normal coordinate analysis; Vibrational spectra

Indexed keywords

2 CHLOROPYRAZINE; 2,6 DICHLOROPYRAZINE; CHLORINE DERIVATIVE; PYRAZINE; PYRAZINE DERIVATIVE; UNCLASSIFIED DRUG;

ARTICLE; CALCULATION; GEOMETRY; INFRARED SPECTROSCOPY; POLARIZATION; QUANTUM CHEMISTRY; RAMAN SPECTROMETRY;

EID: 0042063709     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(03)00329-4     Document Type: Article

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