Pregled bibliografske jedinice broj: 363050
An Algorithm to Enumerate a Special Class of Digraphs: Application to Water Clusters
An Algorithm to Enumerate a Special Class of Digraphs: Application to Water Clusters // Croatica chemica acta, 81 (2008), 2; 347-350 (međunarodna recenzija, članak, ostalo)
CROSBI ID: 363050 Za ispravke kontaktirajte CROSBI podršku putem web obrasca
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, ostalo
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
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
Citiraj ovu publikaciju:
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)
- Cambridge Structural Database System
- Elsevier Data Base
