Periodic Cages (CROSBI ID 113818)
Prilog u časopisu | izvorni znanstveni rad | međunarodna recenzija
Podaci o odgovornosti
Diudea, M.V. ; Nagy, C.L. ; Silaghi-Dumitrescu, I. ; Graovac, Ante ; Janežić, D. ; Vikić-Topić, Dražen
engleski
Periodic Cages
Various cages are constructed by using three types of caps: f-cap (derived from spherical fullerenes by deleting zones of various size), kf-cap (obtainable by cutting off the polar ring, of size k), and t-cap ("tubercule"-cap). Building ways are presented, some of them being possible isomerization routes in the real chemistry of fullerenes. Periodic cages with ((5.7)3) covering are modeled, and their constitutive typing enumeration is given. Spectral data revealed some electronic periodicity in fullerene clusters. Semiempirical and strain energy calculations complete their characterization.
4-membered rings; Fullerene; Carbon; Pyramidalization; Coalescence; Energetics; Nanotubes; Graphite; Clusters; Rule
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