Details
| Original language | English |
|---|---|
| Pages (from-to) | 395-401 |
| Number of pages | 7 |
| Journal | Computers and Chemistry |
| Volume | 19 |
| Issue number | 4 |
| Publication status | Published - Dec 1995 |
Abstract
An algorithm for the computation of the hyper-Wiener index ω of trees (i.e. branched acyclic molecules) is presented. The input for the algorithm is the list of connections. Multiple linear regression equation was derived between boiling points, ω and the flexibility index p in series of acyclic heptane, octane and nonane isomers. The multiple correlation coefficients obtained for the regression equations were equal to r = 0.992 (heptane), r = 0.975 (octane) and r = 0.960 (nonane).
ASJC Scopus subject areas
- Biochemistry, Genetics and Molecular Biology(all)
- Biotechnology
- Immunology and Microbiology(all)
- Applied Microbiology and Biotechnology
- Chemical Engineering(all)
- General Chemical Engineering
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In: Computers and Chemistry, Vol. 19, No. 4, 12.1995, p. 395-401.
Research output: Contribution to journal › Article › Research › peer review
}
TY - JOUR
T1 - An algorithm for the computation of the hyper-Wiener index for the characterization and discrimination of branched acyclic molecules
AU - Linert, W.
AU - Renz, F.
AU - Kleestorfer, K.
AU - Lukovits, I.
PY - 1995/12
Y1 - 1995/12
N2 - An algorithm for the computation of the hyper-Wiener index ω of trees (i.e. branched acyclic molecules) is presented. The input for the algorithm is the list of connections. Multiple linear regression equation was derived between boiling points, ω and the flexibility index p in series of acyclic heptane, octane and nonane isomers. The multiple correlation coefficients obtained for the regression equations were equal to r = 0.992 (heptane), r = 0.975 (octane) and r = 0.960 (nonane).
AB - An algorithm for the computation of the hyper-Wiener index ω of trees (i.e. branched acyclic molecules) is presented. The input for the algorithm is the list of connections. Multiple linear regression equation was derived between boiling points, ω and the flexibility index p in series of acyclic heptane, octane and nonane isomers. The multiple correlation coefficients obtained for the regression equations were equal to r = 0.992 (heptane), r = 0.975 (octane) and r = 0.960 (nonane).
UR - http://www.scopus.com/inward/record.url?scp=0000325555&partnerID=8YFLogxK
U2 - 10.1016/0097-8485(95)00048-W
DO - 10.1016/0097-8485(95)00048-W
M3 - Article
AN - SCOPUS:0000325555
VL - 19
SP - 395
EP - 401
JO - Computers and Chemistry
JF - Computers and Chemistry
SN - 0097-8485
IS - 4
ER -