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Pregled bibliografske jedinice broj: 341013

Kekule Structures Count in Corazulenic Fullerenes


Diudea, Mircea; Vukičević, Damir
Kekule Structures Count in Corazulenic Fullerenes // Journal of nanoscience and nanotechnology, 7 (2007), 4-5; 1321-1328 doi:10.1166/jnn.2007.310 (međunarodna recenzija, članak, znanstveni)


Naslov
Kekule Structures Count in Corazulenic Fullerenes

Autori
Diudea, Mircea ; Vukičević, Damir

Izvornik
Journal of nanoscience and nanotechnology (1533-4880) 7 (2007), 4-5; 1321-1328

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

Ključne riječi
Kekule strucutres; perfect matchings; enumeration

Sažetak
Tiling modification in fullerene modeling can be achieved by some map operations. In this respect, sequences of classical operations, or single generalized operations, were used to obtain corannulene-like azulenic patterns. The aromaticity of such cages tessellated by "corazulenic" supra-faces is discussed in terms of several criteria. Particularly, the number of Kekule valence structures, was considered as a rough measure of the fullerene aromaticity and implicitely of their stability. The covering was given as a pi-electron partition within some Kekule valence structures. The well-known geometric index of aromaticity HOMA (harmonic oscillator model of aromaticity) enabled the evaluation of local aromaticity of the discussed supra-faces and brought evidence for several dominant Kekule valence structures.

Izvorni jezik
Engleski

Znanstvena područja
Matematika, Kemija



POVEZANOST RADA


Projekt / tema
037-0000000-2779 - Diskretna matematika i primjene (Dragutin Svrtan, )
177-0000000-0884 - Diskretni matematički modeli u kemiji (Damir Vukičević, )

Ustanove
Prirodoslovno-matematički fakultet, Split

Autor s matičnim brojem:
Damir Vukičević, (256631)

Časopis indeksira:


  • Current Contents Connect (CCC)
  • Web of Science Core Collection (WoSCC)
    • Science Citation Index Expanded (SCI-EXP)
    • SCI-EXP, SSCI i/ili A&HCI
  • Scopus
  • MEDLINE


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