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'Conformational Stability' in keywords Facet   Publication Year 1999  [X]
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1Author    MohammadA. QtaitatRequires cookie*
 Title    Conformational Stability and Structural Determination of Vinyldichlorosilane by ab initio Calculations  
 Abstract    The Conformational stability and barriers of interconversion between the eis and gauche conformers of vinyldichlorosilane, CH 2 CHSiHCl 2 , have been studied using ab initio calculations employing the RHF/3-21G* and RHF/6-31G* basis sets. The eis conformer was found to be more stable than the gauche one by 45 cm" 1 (539 J/mol) and 140 cm" 1 (1.68 kJ/mol) from the RHF/3-21G* and RHF/6-31G* basis sets, respectively. Additionally, the structural parameters of both rotamers have been calculated. These results are compared with results of related molecules. 
  Reference    Z. Naturforsch. 54a, 503—506 (1999); received July 30 1999 
  Published    1999 
  Keywords    Conformational Stability, ab initio Calculations, Vinyldichlorosilane 
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 TEI-XML for    default:Reihe_A/54/ZNA-1999-54a-0503.pdf 
 Identifier    ZNA-1999-54a-0503 
 Volume    54