Details
| Original language | English |
|---|---|
| Pages (from-to) | 121-127 |
| Number of pages | 7 |
| Journal | Journal of Molecular Structure: THEOCHEM |
| Volume | 337 |
| Issue number | 2 |
| Publication status | Published - 20 Jul 1995 |
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.
Keywords
- Acyclic, Hydrocarbon, Hyper-Wiener index
ASJC Scopus subject areas
- Biochemistry, Genetics and Molecular Biology(all)
- Biochemistry
- Physics and Astronomy(all)
- Condensed Matter Physics
- Chemistry(all)
- Physical and Theoretical Chemistry
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In: Journal of Molecular Structure: THEOCHEM, Vol. 337, No. 2, 20.07.1995, p. 121-127.
Research output: Contribution to journal › Article › Research › peer review
}
TY - JOUR
T1 - Description of cyclic and branched-acyclic hydrocarbons by variants of the hyper-Wiener index
AU - Linert, W.
AU - Kleestorfer, K.
AU - Renz, F.
AU - Lukovits, I.
PY - 1995/7/20
Y1 - 1995/7/20
N2 - 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.
AB - 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.
KW - Acyclic
KW - Hydrocarbon
KW - Hyper-Wiener index
UR - http://www.scopus.com/inward/record.url?scp=0000552354&partnerID=8YFLogxK
U2 - 10.1016/0166-1280(95)04129-T
DO - 10.1016/0166-1280(95)04129-T
M3 - Article
AN - SCOPUS:0000552354
VL - 337
SP - 121
EP - 127
JO - Journal of Molecular Structure: THEOCHEM
JF - Journal of Molecular Structure: THEOCHEM
SN - 0166-1280
IS - 2
ER -