Collect. Czech. Chem. Commun.
2003, 68, 627-643
https://doi.org/10.1135/cccc20030627
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*
Linear Scaling with Cluster Size for Calculations of NMR Properties in Liquids
2003, Vol. 68, Issue 12, pp. 2292–2296 [Abstract] - 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
The sulfur dioxide-hydrogen fluoride complex. Additional information to the experiment from ab initiocalculations
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]
