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

Title:
An Algorithm to Enumerate a Special Class of Digraphs: Application to Water Clusters
Authors:
Vukičević, Damir, Graovac, Ante
Source:
Croatica Chemica Acta
CODEN CCACAA
Volume 81
Issue 2
Publisher Information:
Croatian Chemical Society, 2008.
Publication Year:
2008
Subject Terms:
optimization of algorithms, Chemistry, water clusters, recursive algorithms, hydrogen bonding, digraphs, enumeration
Document Type:
Academic journal Article<br />Other literature type<br />Conference object
File Description:
application/pdf
Language:
English
ISSN:
0011-1643
Access URL:
https://www.bib.irb.hr/363050
https://hrcak.srce.hr/index.php?show=clanak&id_clanak_jezik=44701
http://fulir.irb.hr/836/1/CCA_81_2008_347_350_vukicevic.pdf
https://hrcak.srce.hr/28503
https://hrcak.srce.hr/file/44701
Accession Number:
edsair.dedup.wf.002..b5e958987b6a7cfb4a1a4e295e3c5d3c
Database:
OpenAIRE

Further Information

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.