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    STUDIA CHEMIA - Issue no. 4 / 2010  
         
  Article:   DIAMOND D5, A NOVEL ALLOTROPE OF CARBON.

Authors:  MIRCEA V. DIUDEA.
 
       
         
  Abstract:  

Design of a hypothetical crystal network, consisting mostly of pentagon rings and called diamond D5, is presented. It is shown that the seed and repeat-units, as hydrogenated species, show good stability, compared with that of C60 fullerene, as calculated at three levels of theory (PM3, HF/6-31G(d,p), B3LYP/6-31G). The topology of the network is described in terms of the net parameter.

Keywords: diamond D5; nano-dendrimer; multi-tori; crystal-like network.

 
         
     
         
         
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