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Average Distance Sum Connectivity Index Balaban

Balaban applied 47a b a Randic-type formula (7) to distance sums instead of vertices and created thereby the most discriminating (least degenerate) topological index proposed so far  [Pg.32]

For simple graphs (saturated molecules) q is the number of edges. Averaged distance sums  [Pg.32]

For multiple edges (unsaturated or aromatic systems) fractional distances are introduced in the distance matrix so that fractional distance sums result on summation if the bond order between vertices i, j is b, then 1/b is the entry in the row/ [Pg.32]

For all cycloalkanes having N = 2k carbon atoms, J = 2.0000 irrespective of k. It can be demonstrated that for linear alkanes J increases asymptotically with increasing N towards cycloalkanes with odd N tend asymptotically towards J = 2.0000 linear conjugated polyenes tend towards 4 /3, and linear conjugated [Pg.33]

The smallest two alkanes having degenerate J values have 22 vertices, where the total number of isomers (not counting stereoisomers) is 2,278,658. It will be seen, however, from Table 1 (see Sect. 4.7.) that the degeneracy for J is much lower than for any other single index. [Pg.34]


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