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2000 (1)
1Author    ValentinP. Feshin, ElenaV. FeshinaRequires cookie*
 Title    Correlation between the 35 CI NQR Parameters of Chloro-containing Organic and Organometallic Compounds and the Results of ab initio Calculations  
 Abstract    The results of comparison of experimental 35 C1 NQR parameters for a great number of organic and organometallic compounds and estimated ones using ab initio calculations at the RHF/6-31G(d) level were systematized. The NQR frequency changes on going from one compound to another depend, in general, on the changes of populations of the CI atom p"-orbitals in these compounds and, first of all, of populations of their less diffuse parts. 
  Reference    Z. Naturforsch. 55a, 555—559 (2000); received December 15 1999 
  Published    2000 
  Keywords    ab initio Calculations, p-orbital Populations, 35 C1 NQR Frequency, Asymmetry Parameter, Chloro-containing Organic and Organometallic Compounds 
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 TEI-XML for    default:Reihe_A/55/ZNA-2000-55a-0555.pdf 
 Identifier    ZNA-2000-55a-0555 
 Volume    55