ENUMERATION OF POLYENE HYDROCARBONS - A COMPLETE MATHEMATICAL SOLUTION

Citation
Sj. Cyvin et al., ENUMERATION OF POLYENE HYDROCARBONS - A COMPLETE MATHEMATICAL SOLUTION, Journal of chemical information and computer sciences, 35(4), 1995, pp. 743-751
Citations number
22
Categorie Soggetti
Information Science & Library Science","Computer Application, Chemistry & Engineering","Computer Science Interdisciplinary Applications",Chemistry,"Computer Science Information Systems
ISSN journal
00952338
Volume
35
Issue
4
Year of publication
1995
Pages
743 - 751
Database
ISI
SICI code
0095-2338(1995)35:4<743:EOPH-A>2.0.ZU;2-S
Abstract
Polyenoid systems (or polyenoids) are trees which can be embedded in a hexagonal lattice and represent CnHn+2 polyene hydrocarbons. Complete mathematical solutions in terms of summations and in terms of a gener ating function are deduced for the numbers of polyenoids when overlapp ing edges and/or vertices are allowed. Geometrically planar polyenoids (without overlapping vertices) are enumerated by computer programming . Thus the numbers of geometrically nonplanar polyenoids become access ible. Some of their numbers are confirmed by combinatorial constructio ns, a pen-and-paper method.