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Russian Journal of Physical Chemistry B

, Volume 3, Issue 3, pp 404–409 | Cite as

The dynamics of water hexamer isomerization

  • E. D. Belega
  • K. A. Tatarenko
  • D. N. Trubnikov
  • E. A. Cheremukhin
Elementary Physicochemical Processes

Abstract

The dynamics of water hexamer isomerization was analyzed by classic molecular dynamics using TIP4P and TIP5P empirical interaction potentials. Periodic jump transitions between structural isomers occurred as the internal energy of the cluster grew. Structures prevailing over the energy intervals corresponding to the quasi-liquid and quasi-solid cluster phases were determined. The lifetimes of structural isomers were found.

Keywords

Structural Isomer Isomeric Form Cluster Temperature Classic Molecular Dynamic Initial Kinetic Energy 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

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Copyright information

© Pleiades Publishing, Ltd. 2009

Authors and Affiliations

  • E. D. Belega
    • 1
  • K. A. Tatarenko
    • 1
  • D. N. Trubnikov
    • 1
  • E. A. Cheremukhin
    • 1
  1. 1.Faculty of ChemistryMoscow State UniversityMoscowRussia

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