Fragmentation of water clusters: Molecular-dynamics simulation study

Erkoc S., Kokten H., Guvenc Z.

EUROPEAN PHYSICAL JOURNAL D, vol.13, no.3, pp.361-365, 2001 (SCI-Expanded) identifier identifier

  • Publication Type: Article / Article
  • Volume: 13 Issue: 3
  • Publication Date: 2001
  • Doi Number: 10.1007/s100530170253
  • Journal Name: EUROPEAN PHYSICAL JOURNAL D
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Page Numbers: pp.361-365
  • Middle East Technical University Affiliated: No

Abstract

The fragmentation of water clusters, [(H2O)(n): n = 2-8], have been investigated by using molecular-dynamics simulation method. In the simulations a polarizable-dissociable potential energy function for water has been used. Particular attention has been paid to investigate the effect of structural properties and cluster size of the fragmentation.