The Laplacian matrix in chemistry

Trinajstić, Nenad; Babić, Darko; Nikolić, Sonja; Plavšić, Dean; Amić, Dragan; Mihalić, Zlatko

doi:10.1021/ci00018a023

Pregled bibliografske jedinice broj: 772422

The Laplacian matrix in chemistry

Trinajstić, Nenad; Babić, Darko; Nikolić, Sonja; Plavšić, Dean; Amić, Dragan; Mihalić, Zlatko

The Laplacian matrix in chemistry // Journal of chemical information and computer sciences, 34 (1994), 2; 368-376 doi:10.1021/ci00018a023 (međunarodna recenzija, članak, znanstveni)

CROSBI ID: 772422 Za ispravke kontaktirajte CROSBI podršku putem web obrasca

Naslov
The Laplacian matrix in chemistry

Autori
Trinajstić, Nenad ; Babić, Darko ; Nikolić, Sonja ; Plavšić, Dean ; Amić, Dragan ; Mihalić, Zlatko

Izvornik
Journal of chemical information and computer sciences (0095-2338) 34 (1994), 2; 368-376

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

Ključne riječi
characteristic-polynomials ; chemical graphs ; molecular descriptors

Sažetak
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.

Izvorni jezik
Engleski

Znanstvena područja
Kemija

POVEZANOST RADA

Ustanove:
Fakultet agrobiotehničkih znanosti Osijek,
Institut "Ruđer Bošković", Zagreb,
Prirodoslovno-matematički fakultet, Zagreb

Profili:

Zlatko Mihalić (autor)