Naslov
Altered Wiener indices

Autori
Vukičević, Damir ; Žerovnik, Janez

Izvornik
Acta chimica Slovenica (1318-0207) 52 (2005), 3; 272-281

Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni

Ključne riječi
molecular desriptor; graph theoretical invarinat; Wiener index

Sažetak
Recently Nikolic, Trinajstic and Randic put forward a novel modification W-m(G) of the Wiener number W( G), called modified Wiener index, which definition was generalized later by Gutman and the present authors. Here we study another class of modified indices defined as W-min, W-lambda(G)=Sigma(V(G)(lambda)m(G)(u, nu)(lambda)-m(G)(u, nu)(2 lambda)) and show that some of the important properties of W(G), W-m(G) and W-lambda(G) are also properties of W-min, W-lambda(G), valid for most values of the parameter lambda. In particular, if T-n is any n-vertex tree, different from the n-vertex path P-n and the n-vertex star S-n, then for any lambda = 1 or lambda < 0, W-min, W-lambda(P-n) > W-min, W-lambda(T-n) > W-min, W-lambda(S-n). Thus for these values of the parameter lambda, W-min, W-lambda(G) provides a novel class of structure-descriptors, suitable for modeling branching-dependent properties of organic compounds, applicable in QSPR and QSAR studies. We also demonstrate that if trees are ordered with regard to W-min, W-lambda(G) then, in the general case, this ordering is different for different lambda.

Izvorni jezik
Engleski

Znanstvena područja
Matematika, Kemija

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