Naslov
Partition of $\pi $-electrons among the faces of polyhedral carbon clusters,

Autori
Došlić, Tomislav ; Zubac, Ivana

Izvornik
Journal of mathematical chemistry (0259-9791) 56 (2018); 2512-2524

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

Ključne riječi
pi-electron content ; fullerene stability

Sažetak
We apply the concepts of importance and redundancy to compute and analyze the partition of $\pi$-electrons among faces of actual and potential polyhedral carbon clusters. In particular, we present explicit formulas and investigate asymptotic behavior of total and average $\pi $-electron content of all faces of prisms and $n$-barrels. We also discuss the observed deviations from the uniform distribution and show that the patterns of net migration of $\pi $-electrons differ from those computed for narrow nanotubical fullerenes. Some possible directions of future work are also indicated.

Izvorni jezik
Engleski

Znanstvena područja
Matematika

POVEZANOST RADA