Description of cyclic and branched-acyclic hydrocarbons by variants of the hyper-Wiener index

W. Linert, K. Kleestorfer, F. Renz, I. Lukovits

Research output: Contribution to journalArticle

11 Citations (Scopus)

Abstract

The hyper-Wiener index R was originally defined for acyclic structures. Four different techniques have been proposed so far in order to extend this definition for cycle-containing structures. A computational method for the "delete path" version of R is presented for molecules containing a single cycle and a side branch. Formulas for simple cycles are derived for the "delete path" and for the "count path" versions of R. The variants of the hyper-Wiener number are compared with respect to their use in quantitative structure-property relationships.

Original languageEnglish
Pages (from-to)121-127
Number of pages7
JournalJournal of Molecular Structure: THEOCHEM
Volume337
Issue number2
DOIs
Publication statusPublished - Jul 20 1995

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Keywords

  • Acyclic
  • Hydrocarbon
  • Hyper-Wiener index

ASJC Scopus subject areas

  • Biochemistry
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry

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