Pretraga

Pretražite po imenu i prezimenu autora, mentora, urednika, prevoditelja

Napredna pretraga

Pregled bibliografske jedinice broj: 341032

Numerical Kekule structures and Partitioning of Pi-Electrons to Pentagonal and Hexagonal Rings

Randić, Milan; Harold, Kroto; Vukičević, Damir
Numerical Kekule structures and Partitioning of Pi-Electrons to Pentagonal and Hexagonal Rings // Journal of chemical information and modeling, 47 (2007), 3; 897-904 doi:10.1021/ci600484u (međunarodna recenzija, članak, znanstveni)

CROSBI ID: 341032 Za ispravke kontaktirajte CROSBI podršku putem web obrasca

Naslov
Numerical Kekule structures and Partitioning of Pi-Electrons to Pentagonal and Hexagonal Rings

Autori
Randić, Milan ; Harold, Kroto ; Vukičević, Damir

Izvornik
Journal of chemical information and modeling (1549-9596) 47 (2007), 3; 897-904

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

Ključne riječi
Kekule strucutres; perfect matchings; modeling

Sažetak
We calculated the partitioning of pi-electrons within individual pentagonal and hexagonal rings of fullerenes for a collection of fullerenes from C-20 to C-72 by constructing their Kekule valence structures and averaging the pi-electron content of individual rings over all Kekule valence structures. The resulting information is collected in Table 2, which when combined with the Schlegel diagram of fullerenes ( illustrated in Figure 7) uniquely characterizes each of the 19 fullerenes considered. The results are interpreted as the basic information on the distributions (variation) of the local (ring) pi-electron density.

Izvorni jezik
Engleski

Znanstvena područja
Matematika, Kemija



POVEZANOST RADA

Projekti:
037-0000000-2779 - Diskretna matematika i primjene (Svrtan, Dragutin, MZOS ) ( CroRIS)
177-0000000-0884 - Diskretni matematički modeli u kemiji (Vukičević, Damir, MZOS ) ( CroRIS)

Ustanove:
Prirodoslovno-matematički fakultet, Matematički odjel, Zagreb,
Prirodoslovno-matematički fakultet, Split

Profili:

Avatar Url Damir Vukičević (autor)

Poveznice na cjeloviti tekst rada:

doi

Citiraj ovu publikaciju:

Randić, Milan; Harold, Kroto; Vukičević, Damir
Numerical Kekule structures and Partitioning of Pi-Electrons to Pentagonal and Hexagonal Rings // Journal of chemical information and modeling, 47 (2007), 3; 897-904 doi:10.1021/ci600484u (međunarodna recenzija, članak, znanstveni)
Randić, M., Harold, K. & Vukičević, D. (2007) Numerical Kekule structures and Partitioning of Pi-Electrons to Pentagonal and Hexagonal Rings. Journal of chemical information and modeling, 47 (3), 897-904 doi:10.1021/ci600484u.
@article{article, author = {Randi\'{c}, Milan and Harold, Kroto and Vuki\v{c}evi\'{c}, Damir}, year = {2007}, pages = {897-904}, DOI = {10.1021/ci600484u}, keywords = {Kekule strucutres, perfect matchings, modeling}, journal = {Journal of chemical information and modeling}, doi = {10.1021/ci600484u}, volume = {47}, number = {3}, issn = {1549-9596}, title = {Numerical Kekule structures and Partitioning of Pi-Electrons to Pentagonal and Hexagonal Rings}, keyword = {Kekule strucutres, perfect matchings, modeling} }
@article{article, author = {Randi\'{c}, Milan and Harold, Kroto and Vuki\v{c}evi\'{c}, Damir}, year = {2007}, pages = {897-904}, DOI = {10.1021/ci600484u}, keywords = {Kekule strucutres, perfect matchings, modeling}, journal = {Journal of chemical information and modeling}, doi = {10.1021/ci600484u}, volume = {47}, number = {3}, issn = {1549-9596}, title = {Numerical Kekule structures and Partitioning of Pi-Electrons to Pentagonal and Hexagonal Rings}, keyword = {Kekule strucutres, perfect matchings, modeling} }

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

Citati:

    Altmetrijski pokazatelji:


    Podijeli:





    Contrast
    Increase Font
    Decrease Font
    Dyslexic Font
    CROSBI koristi kolačiće (cookies) kako bi poboljšao funkcionalnost stranice.