Naslov
Modeling of boiling points of saturated hydrocarbons with invariants of the generalised Z matrix

Autori
Plavšić, Dejan ; Šoškić, Milan ; Đaković, Zorislav ; Bešlo, Drago ; Gutman, Ivan ; Graovac, Ante

Vrsta, podvrsta i kategorija rada
Sažeci sa skupova, sažetak, znanstveni

Izvornik
Book of Abstracts / Graovac, Ante - Zagreb : Institut Ruđer Bošković, 1997, 51-51

Skup
MATCH/CHEM/COMP´97, The Twelfth Dubrovnik International Course & The Fourth Croatian Meeting on Fullerenes

Mjesto i datum
Dubrovnik, Hrvatska, 23.06.1997. - 28.06.1997

Vrsta sudjelovanja
Poster

Vrsta recenzije
Međunarodna recenzija

Ključne riječi
Hosoya Z matrix; generalization; general connected edge-weighted graph; bolining points of saturated monocyclic hydrocarbons; QSPR modeling

Sažetak
The Z matrix is originally defined for trees. Due to the existence of a surjective mapping between the set of paths and the set of vertices of a general undirected molecular graph, the Z matrix could be generalized in different ways. A few possibilities to resolve this problem are discussed. For edge-weighted graphs, the Z_ew matrix based on the novel Z^* index is defined. In analogy to path numbers, invariants ^kZ, k=1,2..., are introduced and their correlation with boiling points of saturated hydrocarbons is studied.

Izvorni jezik
Engleski

Znanstvena područja
Kemija

POVEZANOST RADA