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Pregled bibliografske jedinice broj: 341013

Časopis

Autori: Diudea, Mircea; Vukičević, Damir
Naslov: Kekule Structures Count in Corazulenic Fullerenes
( Kekule Structures Count in Corazulenic Fullerenes )
Izvornik: Journal of nanoscience and nanotechnology (1533-4880) 7 (2007), 4-5; 1321-1328
Vrsta rada: članak
Ključne riječi: Kekule strucutres; perfect matchings; enumeration
( 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.
Projekt / tema: 037-0000000-2779, 177-0000000-0884
Izvorni jezik: eng
Rad je indeksiran u
bazama podataka:
Current Contents Connect (CCC)
MEDLINE
Scopus
SCI-EXP, SSCI i/ili A&HCI
Science Citation Index Expanded (SCI-EXP) (sastavni dio Web of Science Core Collectiona)
Kategorija: Znanstveni
Znanstvena područja:
Matematika,Kemija
Broj citata:
Altmetric:
DOI: 10.1166/jnn.2007.310
URL cjelovitog teksta:
Google Scholar: Kekule Structures Count in Corazulenic Fullerenes
Upisao u CROSBI: vukicevi@pmfst.hr (vukicevi@pmfst.hr), 6. Svi. 2008. u 21:44 sati



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