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Partition of $\pi $-electrons among the faces of polyhedral carbon clusters, (CROSBI ID 259348)

Prilog u časopisu | izvorni znanstveni rad | međunarodna recenzija

Došlić, Tomislav ; Zubac, Ivana Partition of $\pi $-electrons among the faces of polyhedral carbon clusters, // Journal of mathematical chemistry, 56 (2018), 2512-2524

Podaci o odgovornosti

Došlić, Tomislav ; Zubac, Ivana

engleski

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

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.

pi-electron content ; fullerene stability

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Podaci o izdanju

56

2018.

2512-2524

objavljeno

0259-9791

1572-8897

Povezanost rada

Matematika

Indeksiranost