The Laplacian matrix in chemistry (CROSBI ID 220431)
Prilog u časopisu | izvorni znanstveni rad | međunarodna recenzija
Podaci o odgovornosti
Trinajstić, Nenad ; Babić, Darko ; Nikolić, Sonja ; Plavšić, Dean ; Amić, Dragan ; Mihalić, Zlatko
engleski
The Laplacian matrix in chemistry
The Laplacian matrix, its spectrum, and its polynomial are discussed. An algorithm for computing the number of spanning trees of a polycyclic graph, based on the corresponding Laplacian spectrum, is outlined. Also, a technique using the Le Verrier-Faddeev-Frame method for computing the Laplacian polynomial of a graph is detailed. In addition, it is shown that the Wiener index of an alkane tree can be given in terms of its Laplacian spectrum. Two Mohar indices, one based on the Laplacian spectrum of a molecular graph G and the other based on the Laplacian x2 eigenvalue of G, have been tested in the structure- property relationships for octanes.
characteristic-polynomials ; chemical graphs ; molecular descriptors
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Podaci o izdanju
34 (2)
1994.
368-376
objavljeno
0095-2338
10.1021/ci00018a023