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Collect. Czech. Chem. Commun. 1998, 63, 1177-1186
https://doi.org/10.1135/cccc19981177

Ab initio Calculation of Transport Properties of Supercritical Carbon Dioxide

Gerold Steinebrunner, Anthony J. Dyson, Barbara Kirchner and Hanspeter Huber

Institut für Physikalische Chemie, Universität Basel, Klingelbergstrasse 80, CH-4056 Basel, Switzerland

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  • Idrissi A., Longelin S., Damay P., Leclercq F.: Low-frequency Raman spectra of sub- and supercritical CO2: Qualitative analysis of the diffusion coefficient behavior. The Journal of Chemical Physics 2005, 123. <https://doi.org/10.1063/1.1992476>
  • Gann Gudrun, Vogt Patrick S., Huber Hanspeter: A relation between the systematic errors of a quantum chemical potential and of fluid properties calculated from it. Chemical Physics 2001, 263, 333. <https://doi.org/10.1016/S0301-0104(00)00383-9>
  • Diep Phong, Johnson J. Karl: An accurate H2–H2 interaction potential from first principles. The Journal of Chemical Physics 2000, 112, 4465. <https://doi.org/10.1063/1.481009>