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1Author    35, J. N. Latosińska, J. KasprzakRequires cookie*
 Title    Solid State Effects in 4,6-Dichloropyrimidine Studied by Cl-NQR Spectroscopy and ab initio Calculations  
 Abstract    Quantum chemistry methods -ab initio -have been used for the assignment of the 35 C1-NQR resonance frequencies to particular chlorine atoms substituted in positions 4 and 6 of pyrimidine. The so-called solid state effect, that is the influence of intermolecular interactions, in particular hydrogen bond formation, on the NQR parameters has also been studied. 
  Reference    Z. Naturforsch. 55a, 343—347 (2000); received August 28 1999 
  Published    2000 
  Keywords    35 C1-NQR, 4,6-Dichloropyrimidine, Electronic Structure, B3LYP/6-31G* 
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 TEI-XML for    default:Reihe_A/55/ZNA-2000-55a-0343.pdf 
 Identifier    ZNA-2000-55a-0343 
 Volume    55