Ideal symmetry method for 4D models: Application for QSPR studies of alkanes and alkylbenzenes

Authors
Toropov, AA
Citation
Aa. Toropov, Ideal symmetry method for 4D models: Application for QSPR studies of alkanes and alkylbenzenes, J STRUCT CH, 40(3), 1999, pp. 456-460
Citations number
16
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF STRUCTURAL CHEMISTRY
ISSN journal
00224766 → ACNP
Volume
40
Issue
3
Year of publication
1999
Pages
456 - 460
Database
ISI
SICI code
0022-4766(199905/06)40:3<456:ISMF4M>2.0.ZU;2-V
Abstract
A concept of chemical structure representation as a four-dimensional model is described The 4D descriptors calculated for such models lead to slightly improved correlation equations (compared to those for topological and 3D d escriptors) for the boiling points of alkanes and alkylbenzenes.