Modification of the Wiener Index. 2

A novel topological index based on the Wiener Index is proposed as W = 1/2, summation(n/ij)=S*(ij) the element S*(ij) of the distance matrix is defined either as S*(ij)= square root (E(i)E(j)/R(ij) (atoms i and j are adjacent) or as S*(ij)=(j-i+1)square root (E(i)...xE /R(ij) (atoms i and j are not adjacent), where E(i) and E(j) represent the total energy of the valence electrons of vertexes i and j, respectively, R(ij) is the sum of the distance between the vertexes i and j in a molecular graph. The distance and the energy of the vertexes in a molecule are taken into account in this definition. Hence the application of the index W to multiple bond and heteroatom-containing organic systems and inorganic systems is possible. Good correlation coefficients are achieved not only in the standard formation enthalpy of methyl halides, halogen-silicon, but also in the retention index of gas chromatography of the hydrocarbons.