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    STUDIA CHEMIA - Issue no. 1 / 2013  
         
  Article:   LAPLACIAN AND MODIFIED LAPLACIAN MATRICES FOR QUANTIFICATION OF CHEMICAL STRUCTURES.

Authors:  MIRCEA V. DIUDEA.
 
       
         
  Abstract:  The paper presents the application of Laplacian matrix and its modifications in the characterization of the chemical graphs associated to chemical structures. The eigenvalues of these matrices and some derived topological descriptors were computed. The alkane series C3 to C9 was used as the benchmark set in the ordering/discriminating analysis as well as in the QSPR with the normal boiling points.

Keywords: graphs, Laplacian matrix, chemical structure, topological indices, QSPR
 
         
     
         
         
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