Izlaganje sa skupa

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

Damir Vukičević ; Faculty of Science, University of Split, Split, Croatia
Ante Graovac ; Faculty of Science, University of Split, Split, Croatia; Ruđer Bošković Institute, Zagreb, Croatia

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.

Ključne riječi

digraphs; recursive algorithms; enumeration; optimization of algorithms; water clusters; hydrogen bonding

Hrčak ID:

28503

URI

https://hrcak.srce.hr/28503

Datum izdavanja:

30.6.2008.

Posjeta: 1.164 *