Naslov
Variable connectivity index for cycle-containing structures

Autori
Randić, Milan ; Plavšić, Dejan ; Lerš, Nella ; Vikić-Topić, Dražen

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

Izvornik
MATCH/CHEM/COMP/2001, Book of Abstracts / Graovac, Ante; Pokrić, Biserka; Smrečki, Vilko - Zagreb : Institut Ruđer Bošković, 2001, 79-79

Skup
MATCH/CHEM/COMP 2001, The 16th Dubrovnik International Course & Conference on the Interfaces Among Mathematics, Chemistry and Computer Sciences

Mjesto i datum
Dubrovnik, Hrvatska, 25.06.2001. - 30.06.2001

Vrsta sudjelovanja
Poster

Vrsta recenzije
Međunarodna recenzija

Ključne riječi
descriptors

Sažetak
In the early applications of the connectivity index the index was empirically modified for some properties of cyclic structures by substracting 1/2 from the computed value based solely on valence of verticles in molecular graph. In this article we looked into the origin of this heuristic adjustement of the connectivity indices for cyclic structures. We have examined the relative role of carbon atoms in cycle-containing structures by differentiating carbon atoms making up a ring and carbon atoms in exocyclic bonds. We found in the case of the boiling points of cycloalkanes and alkylcycloalkanes that contributions of "cyclic" and "acyclic" atoms to molecular additivities differ somewhat.

Izvorni jezik
Engleski

Znanstvena područja
Kemija, Biologija

POVEZANOST RADA