SOME NOTES ON RANDIC-RAZINGERS APPROACH TO CHARACTERIZATION OF MOLECULAR SHAPES

Authors
ZEFIROV NS TRATCH SS
Citation
Ns. Zefirov et Ss. Tratch, SOME NOTES ON RANDIC-RAZINGERS APPROACH TO CHARACTERIZATION OF MOLECULAR SHAPES, Journal of chemical information and computer sciences, 37(5), 1997, pp. 900-912
Citations number
33
Categorie Soggetti
Information Science & Library Science","Computer Application, Chemistry & Engineering","Computer Science Interdisciplinary Applications",Chemistry,"Computer Science Information Systems
Journal title
Journal of chemical information and computer sciences → ACNP
ISSN journal
00952338
Volume
37
Issue
5
Year of publication
1997
Pages
900 - 912
Database
ISI
SICI code
0095-2338(1997)37:5<900:SNORAT>2.0.ZU;2-Z
Abstract
Several problems related to fundamentals of the recent Randic-Razinger 's description of molecular shapes are briefly outlined. An alternativ e ''geometry based'' definition of molecular periphery and problems of degeneracy for molecular shape profiles an discussed; two examples of degenerate shape profiles are explicitly presented. It is shown that Randic-Razinger's periphery codes of polybenzenoids may be considered as characteristics of those ring 2D configurations which can be proper ly embedded on a regular hexagonal lattice.