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An Algorithm to Enumerate a Special Class of Digraphs: Application to Water Clusters (CROSBI ID 144259)

Prilog u časopisu | ostalo | međunarodna recenzija

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

Podaci o odgovornosti

Vukičević, Damir ; Graovac, Ante

engleski

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

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.

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

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Podaci o izdanju

81 (2)

2008.

347-350

objavljeno

0011-1643

1334-417X

Povezanost rada

Matematika, Fizika, Kemija

Poveznice
Indeksiranost