Wiener-Index-AHvb Relationship Bonchev et al. [13] have reported the following relationship for alkanes (C2-C10) [Pg.87]

W Wiener index — half-sum of the off-diagonal elements of the distance matrix of a graph [Pg.482]

Z eb index, Wiener index. Balaban J index, connectivity indices chi (x), kappa (k) shape indices, molecular walk counts, BCUT descriptors, 2D autocorrelation vector [Pg.404]

With Eq. (16) the Wiener index of compound 2 can be calculated from the distance matrix as shown in Eq, (17) [Pg.410]

Fig. 12.3 Minimum Wiener-index principle Wiener Index is able to select compact isomers, chemically stable |

Because of the symmetry of the distance matrix, the Wiener index can be expressed as Eq. (16). [Pg.410]

This is another index, which was independently developed by Polansky 46) for expressing some graph properties, including the relation with the Wiener index for important classes of molecular graphs, and by Bonchev, Balaban and Mekenyan 47) [Pg.31]

I. Gutman et al., The graph of atomic orbitals and its basic properties. 1. Wiener index. MATCH Commun. Math. Comput. Chem. 53, 215-224 (2005) [Pg.215]

Hence, they take account of only the structure constitution (topology). One of the first and most frequently used topological indices is the Wiener index. It has the form of Eq. (3), where D,y are all the routes from atom i to atom j. [Pg.295]

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