Collect. Czech. Chem. Commun. 2003, 68, 627-643

Calculation of Thermodynamical, Transport and Structural Properties of Neon in Liquid and Supercritical Phases by Molecular Dynamics Simulations Using an Accurate ab initio Pair Potential

Muthusamy Venkatraja, Markus G. Müllera, Hanspeter Hubera,* and Robert J. Gdanitzb

a Departement Chemie, Universität Basel, Klingelbergstrasse 80, CH-4056, Basel, Switzerland
b Department of Chemistry, University of Utah, 315 S. 1400 E, Rm 2020, Salt Lake City, UT 84112, U.S.A.

Individual author index pages

Other CCCC articles of these authors

  • Markus G. Müller and Hanspeter Huber*
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  • Gerold Steinebrunner, Anthony J. Dyson, Barbara Kirchner and Hanspeter Huber
    Ab initio Calculation of Transport Properties of Supercritical Carbon Dioxide
    1998, Vol. 63, Issue 8, pp. 1177–1186 [Abstract]
  • Stefan Gerber and Hanspeter Huber
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    1988, Vol. 53, Issue 9, pp. 1989–1994 [Abstract]
  • Hanspeter Huber, J. Pancíř and P. Čársky
    Effective search for minima on the ab initio SCF energy hypersurfaces
    1977, Vol. 42, Issue 9, pp. 2767–2771 [Abstract]