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
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.