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Partition of Pi-Electrons between Faces of Polyhedral Carbon Aggregates


Balaban, Alexandru; Randić, Milan; Vukičević, Damir
Partition of Pi-Electrons between Faces of Polyhedral Carbon Aggregates // Journal of mathematical chemistry, 43 (2008), 2; 773-779 doi:10.1007/s10910-007-9230-1 (međunarodna recenzija, članak, znanstveni)


Naslov
Partition of Pi-Electrons between Faces of Polyhedral Carbon Aggregates

Autori
Balaban, Alexandru ; Randić, Milan ; Vukičević, Damir

Izvornik
Journal of mathematical chemistry (0259-9791) 43 (2008), 2; 773-779

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

Ključne riječi
Regular (platonic) polyhedra; semiregular (archimedean) polyhedra; partition of pi-electrons between faces

Sažetak
We report for the trivalent regular and semiregular polyhedra (three Platonic and seven Archimedean carbon polyhedra) the pi-electron partition between rings of various sizes based on considering all their resonance structures. It was found that small odd-membered (3-and 5-membered) faces are assigned a lower share of pi-electrons than that corresponding to equipartition (i.e., 1/3 of an electron for carbon atoms shared between three rings). In contrast, 4-membered rings obtain a larger share of pi-electrons than that corresponding to equipartition.

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, Matematički odjel, Zagreb,
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


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