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Pregled bibliografske jedinice broj: 363050

An Algorithm to Enumerate a Special Class of Digraphs: Application to Water Clusters


Vukičević, Damir; Graovac, Ante
An Algorithm to Enumerate a Special Class of Digraphs: Application to Water Clusters // Croatica Chemica Acta, 81 (2008), 2; 347-350 (međunarodna recenzija, članak, znanstveni)


Naslov
An Algorithm to Enumerate a Special Class of Digraphs: Application to Water Clusters

Autori
Vukičević, Damir ; Graovac, Ante

Izvornik
Croatica Chemica Acta (0011-1643) 81 (2008), 2; 347-350

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

Ključne riječi
Digraphs; recursive algorithms; enumeration; optimization of algorithms; water clusters; hydrogen bonding

Sažetak
Recently Miyake and Aida have developed a directed graph model and related algorithm which generates all possible topologically distinct hydrogen-bonded clusters of water molecules. Here we present a new algorithm based on recursive functions. Numerical results show that our algorithm is much faster than that of Miyake and Aida. The paper is dedicated to the memory of Professor Dean Rosenzweig.

Izvorni jezik
Engleski

Znanstvena područja
Matematika, Fizika, Kemija



POVEZANOST RADA


Projekt / tema
098-0982929-2940 - Modeliranje molekula i materijala metodama matematičke i računarske kemije (Ante Graovac, )
177-0000000-0884 - Diskretni matematički modeli u kemiji (Damir Vukičević, )

Ustanove
Institut "Ruđer Bošković", Zagreb,
Prirodoslovno-matematički fakultet, Split

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:


  • CA Search (Chemical Abstracts)
  • Science Citation Index
  • Cambridge Structural Database System
  • Elsevier Data Base