Naslov
Chemical enumeration with mathematica

Autori
Novak, Igor

Izvornik
Journal of Chemical Education (0021-9584) 73 (1996), 2; 120-122

Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni

Ključne riječi
chemical enumeration; inorganic compounds with geometries of regular polygons or polyhedra - isomers and derivatives

Sažetak
Chemical enumeration is described in various special textbooks on graph theory, but even there it has not been applied to the examples of well-known organic and especially inorganic molecules. The examples discussed in such textbooks are predominately alkanes and polycylic aromatic hydrocarbons. We shall demonstrate that even simple inorganic compounds (with geometries of regular polygons or polyhedra) possess a rich variety of isomers and derivaties, which can be readily enumerated by students. Furthermore, on the basis of worked examples, we show how the number of chiral organic and inorganic compounds may be deduced and used to supplement conventional discussions on group theory and symmetry in chemistry.

Izvorni jezik
Engleski

Znanstvena područja
Kemija

POVEZANOST RADA