Pregled bibliografske jedinice broj: 82129
On characterization of molecular complexity
On characterization of molecular complexity // MATH/CHEM/COMP/2002, Book of Abstracts / Graovac, Ante ; Pokrić, Biserka ; Smrečki, Vilko (ur.).
Zagreb: Institut Ruđer Bošković, 2002. str. 63-63 (poster, međunarodna recenzija, sažetak, znanstveni)
CROSBI ID: 82129 Za ispravke kontaktirajte CROSBI podršku putem web obrasca
Naslov
On characterization of molecular complexity
Autori
Randić, Milan ; Plavšić, Dejan
Vrsta, podvrsta i kategorija rada
Sažeci sa skupova, sažetak, znanstveni
Izvornik
MATH/CHEM/COMP/2002, Book of Abstracts
/ Graovac, Ante ; Pokrić, Biserka ; Smrečki, Vilko - Zagreb : Institut Ruđer Bošković, 2002, 63-63
Skup
MATH/CHEM/COMP/2002
Mjesto i datum
Dubrovnik, Hrvatska, 24.06.2002. - 29.06.2002
Vrsta sudjelovanja
Poster
Vrsta recenzije
Međunarodna recenzija
Ključne riječi
molecule; complexity; symmetry; graph
Sažetak
We put forward a novel index of molecular complexity, delta, taking into account the symmetry of a molecular graph and the specificity of structural components considered. The xi index is defined as the sum of augmented valences of all mutually nonequivalent vertices in a molecular graph. The augmented valence of a vertex in a graph is the sum of its valence and valences of all neighboring vertices with the weight 1/2(d) depending on the distance, d, from the vertex. The xi index is examined on the set of octane isomers and some special classes of graphs. It is also compared with a certain number of alternative complexity measures considered in the literature.
Izvorni jezik
Engleski
Znanstvena područja
Kemija
POVEZANOST RADA
