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Pregled bibliografske jedinice broj: 77147

Resistance-distance matrix: A computational algorithm and its application


Babić, Darko; Klein, Douglas, J.; Lukovits, Istvan; Nikolić, Sonja; Trinajstić, Nenad
Resistance-distance matrix: A computational algorithm and its application // International Journal of Quantum Chemistry, 90 (2002), 1; 166-176 doi:10.1002/qua.10057 (međunarodna recenzija, članak, znanstveni)


CROSBI ID: 77147 Za ispravke kontaktirajte CROSBI podršku putem web obrasca

Naslov
Resistance-distance matrix: A computational algorithm and its application

Autori
Babić, Darko ; Klein, Douglas, J. ; Lukovits, Istvan ; Nikolić, Sonja ; Trinajstić, Nenad

Izvornik
International Journal of Quantum Chemistry (0020-7608) 90 (2002), 1; 166-176

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

Ključne riječi
Cyclicity ; Distance matrix ; Distance-related indices ; Kirchhoff index. Kirchhoff-sum index. Resistance-distance matrix. Resistance-distance-related indices ; Quotient matrices

Sažetak
The distance matrix D, the resistance-distance matrix SOmega, the related quotient matrices D/Omega and Omega/D and the corresponding distance- related and resistance-distance-related descriptors: the Wiener index W, the Balaban indices J and JOmega, the Kirchhoff index Kf, the Wiener-sum index WS, and Kirchhoff-sum index KfS are presented. A simple algorithm for computing the resistance-distance matrix is outlined. The distance-related and the resistance-distance-related indices are used to study cyclicity in four classes of polycyclic graphs: five-vertex graphs containing a five-cycle and Schlegel graphs representing platonic solids, buckminsterfullerene isomers and C-70 isomers. Among the considered indices only the Kirchhoff index correctly ranks according to their cyclicity the Schlegel graphs for platonic solids, C-60 isomers, and C70 isomers. The Kirchhoff index further produces the reverse order of five-vertex graphs containing a five-cycle (which could be simply altered to the correct order by adding a minus sign to the Kirchhoff indices for these graphs).

Izvorni jezik
Engleski

Znanstvena područja
Kemija



POVEZANOST RADA


Projekti:
0098034
00980606

Ustanove:
Institut "Ruđer Bošković", Zagreb

Profili:

Avatar Url Darko Babić (autor)

Avatar Url Nenad Trinajstić (autor)

Avatar Url Sonja Nikolić (autor)

Citiraj ovu publikaciju

Babić, Darko; Klein, Douglas, J.; Lukovits, Istvan; Nikolić, Sonja; Trinajstić, Nenad
Resistance-distance matrix: A computational algorithm and its application // International Journal of Quantum Chemistry, 90 (2002), 1; 166-176 doi:10.1002/qua.10057 (međunarodna recenzija, članak, znanstveni)
Babić, D., Klein, Douglas, J., Lukovits, I., Nikolić, S. & Trinajstić, N. (2002) Resistance-distance matrix: A computational algorithm and its application. International Journal of Quantum Chemistry, 90 (1), 166-176 doi:10.1002/qua.10057.
@article{article, year = {2002}, pages = {166-176}, DOI = {10.1002/qua.10057}, keywords = {Cyclicity, Distance matrix, Distance-related indices, Kirchhoff index. Kirchhoff-sum index. Resistance-distance matrix. Resistance-distance-related indices, Quotient matrices}, journal = {International Journal of Quantum Chemistry}, doi = {10.1002/qua.10057}, volume = {90}, number = {1}, issn = {0020-7608}, title = {Resistance-distance matrix: A computational algorithm and its application}, keyword = {Cyclicity, Distance matrix, Distance-related indices, Kirchhoff index. Kirchhoff-sum index. Resistance-distance matrix. Resistance-distance-related indices, Quotient matrices} }
@article{article, year = {2002}, pages = {166-176}, DOI = {10.1002/qua.10057}, keywords = {Cyclicity, Distance matrix, Distance-related indices, Kirchhoff index. Kirchhoff-sum index. Resistance-distance matrix. Resistance-distance-related indices, Quotient matrices}, journal = {International Journal of Quantum Chemistry}, doi = {10.1002/qua.10057}, volume = {90}, number = {1}, issn = {0020-7608}, title = {Resistance-distance matrix: A computational algorithm and its application}, keyword = {Cyclicity, Distance matrix, Distance-related indices, Kirchhoff index. Kirchhoff-sum index. Resistance-distance matrix. Resistance-distance-related indices, Quotient matrices} }

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


Uključenost u ostale bibliografske baze podataka:


  • Chemical Abstracts
  • The INSPEC Science Abstracts series


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