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Pregled bibliografske jedinice broj: 268968

Vindicating the Pauling-bond-order concept

Sedlar, Jelena; Anđelić, Ivana; Gutman, Ivan; Vukičević, Damir; Graovac, Ante
Vindicating the Pauling-bond-order concept // Chemical physics letters, 427 (2006), 4-6; 418-420 doi:10.1016/j.cplett.2006.06.026 (međunarodna recenzija, članak, znanstveni)

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Naslov
Vindicating the Pauling-bond-order concept

Autori
Sedlar, Jelena ; Anđelić, Ivana ; Gutman, Ivan ; Vukičević, Damir ; Graovac, Ante

Izvornik
Chemical physics letters (0009-2614) 427 (2006), 4-6; 418-420

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

Ključne riječi
Pauling bond order ; Kekule and algebraic structures

Sažetak
In the Pauling-bond-order concept, it is assumed that all Kekule structures of a benzenoid molecule contribute equally to the pi-electron contents of the carbon-carbon bonds. We modified the Pauling-bond-order: (a) by increasing the weight of a Kekule structure proportional to the number of Fries-type hexagons and (b) by increasing the weights of the Kekule structures that are compatible with Clar aromatic sextet formulas. Improvements in reproducing experimental carbon-carbon bond lengths are insignificant, implying that equal weighting of Kekule structures is more justified than one could anticipate.

Izvorni jezik
Engleski

Znanstvena područja
Matematika, Kemija



POVEZANOST RADA

Projekti:
0083021
0098039
0037117

Ustanove:
Fakultet građevinarstva, arhitekture i geodezije, Split,
Institut "Ruđer Bošković", Zagreb,
Prirodoslovno-matematički fakultet, Split

Profili:

Avatar Url Damir Vukičević (autor)

Avatar Url Ivana Anđelić (autor)

Avatar Url Ante Graovac (autor)

Avatar Url Jelena Sedlar (autor)

Avatar Url Ivan Gutman (autor)

Poveznice na cjeloviti tekst rada:

doi

Citiraj ovu publikaciju:

Sedlar, Jelena; Anđelić, Ivana; Gutman, Ivan; Vukičević, Damir; Graovac, Ante
Vindicating the Pauling-bond-order concept // Chemical physics letters, 427 (2006), 4-6; 418-420 doi:10.1016/j.cplett.2006.06.026 (međunarodna recenzija, članak, znanstveni)
Sedlar, J., Anđelić, I., Gutman, I., Vukičević, D. & Graovac, A. (2006) Vindicating the Pauling-bond-order concept. Chemical physics letters, 427 (4-6), 418-420 doi:10.1016/j.cplett.2006.06.026.
@article{article, author = {Sedlar, Jelena and An\djeli\'{c}, Ivana and Gutman, Ivan and Vuki\v{c}evi\'{c}, Damir and Graovac, Ante}, year = {2006}, pages = {418-420}, DOI = {10.1016/j.cplett.2006.06.026}, keywords = {Pauling bond order, Kekule and algebraic structures}, journal = {Chemical physics letters}, doi = {10.1016/j.cplett.2006.06.026}, volume = {427}, number = {4-6}, issn = {0009-2614}, title = {Vindicating the Pauling-bond-order concept}, keyword = {Pauling bond order, Kekule and algebraic structures} }
@article{article, author = {Sedlar, Jelena and An\djeli\'{c}, Ivana and Gutman, Ivan and Vuki\v{c}evi\'{c}, Damir and Graovac, Ante}, year = {2006}, pages = {418-420}, DOI = {10.1016/j.cplett.2006.06.026}, keywords = {Pauling bond order, Kekule and algebraic structures}, journal = {Chemical physics letters}, doi = {10.1016/j.cplett.2006.06.026}, volume = {427}, number = {4-6}, issn = {0009-2614}, title = {Vindicating the Pauling-bond-order concept}, keyword = {Pauling bond order, Kekule and algebraic structures} }

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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