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Variable connectivity index for cycle-containing structures (CROSBI ID 92971)

Prilog u časopisu | izvorni znanstveni rad | međunarodna recenzija

Randić, Milan ; Plavšić, Dejan ; Lerš, Nela Variable connectivity index for cycle-containing structures // Journal of chemical information and computer sciences, 41 (2001), 3; 657-662-x

Podaci o odgovornosti

Randić, Milan ; Plavšić, Dejan ; Lerš, Nela

engleski

Variable connectivity index for cycle-containing structures

In the early applications of the connectivity index was empirically midified for some properties of cyclic structurws by substracting 1 from the computed value based solely on valence of verticles in the molecular graph. In this article we looked into the origin of this heuristic adjustment 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.

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Podaci o izdanju

41 (3)

2001.

657-662-x

objavljeno

0095-2338

Povezanost rada

Kemija, Biologija

Indeksiranost