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    STUDIA CHEMIA - Issue no. 2 / 2006  
         
  Article:   A QUANTUM CHEMICAL CONFORMATIONAL ANALYSIS OF P-TERT-BUTYL/PENTYL/OCTYL-CALIX[8]ARENES.

Authors:  ALEXANDRU LUPAN, ALINA SAPONAR, IOAN SILAGHI-DUMITRESCU, ATTILA KUN, LUMINIŢA SILAGHI-DUMITRESCU, ELISABETH-JEANNE POPOVICI.
 
       
         
  Abstract:  A conformational analysis of p-tert-butyl/tert-pentyl/ tert-octyl-calix[8]arenes has been performed by semiempirical calculations. The results are in agreement with the available experimental data, as predicted for the pleated-loop conformation. The relative stability of the conformers depends on the substituents located in the para position, however the energy difference between the most stable and the next conformations is low.  
         
     
         
         
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