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Pregled bibliografske jedinice broj: 496955

Topological efficiency of C66 fullerene

Vukičević, Damir; Cataldo, Franco; Ori, Ottorino; Graovac, Ante
Topological efficiency of C66 fullerene // Chemical physics letters, 501 (2011), 46; 442-445 doi:10.1016/j.cplett.2010.11.055 (međunarodna recenzija, članak, znanstveni)

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Naslov
Topological efficiency of C66 fullerene

Autori
Vukičević, Damir ; Cataldo, Franco ; Ori, Ottorino ; Graovac, Ante

Izvornik
Chemical physics letters (0009-2614) 501 (2011), 46; 442-445

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

Ključne riječi
C66 isomers ; relative stabilities ; Wiener index ; topological efficiency index

Sažetak
A novel method for topological determination of relative stabilities of C66 isomers is proposed. Among 4478 distinct isomers of C66 fullerene, the joint actions of topological compactness (Wiener index) and topological efficiency index correctly sieve the C66:C2v molecule detected in Sc2@C66 endocluster. This elegant and fast computational method is suggested to be applicable to any C2n fullerene or graphene fragment.

Izvorni jezik
Engleski

Znanstvena područja
Matematika, Fizika, Kemija



POVEZANOST RADA

Projekti:
098-0982929-2940 - Modeliranje molekula i materijala metodama matematičke i računarske kemije
177-0000000-0884 - Diskretni matematički modeli u kemiji (Vukičević, Damir, MZOS ) ( CroRIS)

Ustanove:
Institut "Ruđer Bošković", Zagreb,
Prirodoslovno-matematički fakultet, Split,
Sveučilište u Dubrovniku

Profili:

Avatar Url Ante Graovac (autor)

Avatar Url Damir Vukičević (autor)

Poveznice na cjeloviti tekst rada:

doi www.sciencedirect.com doi.org

Citiraj ovu publikaciju:

Vukičević, Damir; Cataldo, Franco; Ori, Ottorino; Graovac, Ante
Topological efficiency of C66 fullerene // Chemical physics letters, 501 (2011), 46; 442-445 doi:10.1016/j.cplett.2010.11.055 (međunarodna recenzija, članak, znanstveni)
Vukičević, D., Cataldo, F., Ori, O. & Graovac, A. (2011) Topological efficiency of C66 fullerene. Chemical physics letters, 501 (46), 442-445 doi:10.1016/j.cplett.2010.11.055.
@article{article, author = {Vuki\v{c}evi\'{c}, Damir and Cataldo, Franco and Ori, Ottorino and Graovac, Ante}, year = {2011}, pages = {442-445}, DOI = {10.1016/j.cplett.2010.11.055}, keywords = {C66 isomers, relative stabilities, Wiener index, topological efficiency index}, journal = {Chemical physics letters}, doi = {10.1016/j.cplett.2010.11.055}, volume = {501}, number = {46}, issn = {0009-2614}, title = {Topological efficiency of C66 fullerene}, keyword = {C66 isomers, relative stabilities, Wiener index, topological efficiency index} }
@article{article, author = {Vuki\v{c}evi\'{c}, Damir and Cataldo, Franco and Ori, Ottorino and Graovac, Ante}, year = {2011}, pages = {442-445}, DOI = {10.1016/j.cplett.2010.11.055}, keywords = {C66 isomers, relative stabilities, Wiener index, topological efficiency index}, journal = {Chemical physics letters}, doi = {10.1016/j.cplett.2010.11.055}, volume = {501}, number = {46}, issn = {0009-2614}, title = {Topological efficiency of C66 fullerene}, keyword = {C66 isomers, relative stabilities, Wiener index, topological efficiency index} }

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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