Naslov
Atlas of Kekule Valence Structures of Buckminsterfullerene

Autori
Vukičević, Damir ; Kroto, Harry ; Randić, Milan

Izvornik
Croatica chemica acta (0011-1643) 78 (2005); 223-234

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

Ključne riječi
Kekule valence structures; Buckminsterfullerene; C-60

Sažetak
The 12, 500 Kekule valence structures of Buckminsterfullerene C-60, of which only 158 are symmetry distinct, show large variation in their forms and characteristics. We display all 158 symmetry distinct Kekule valence structures which have been classified according to their innate degree of freedom (df), which varies from the maximal value of df = 10 to df = 5. The most important and unique Kekule valence structure in which CC double bonds are exocyclic to pentagonal faces belongs to df = 10, while there are 36 symmetry distinct Kekule structures associated with df = 5.

Izvorni jezik
Engleski

Znanstvena područja
Matematika, Kemija

POVEZANOST RADA