Nano
Porous
Carbon
@
Research Initiative


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 Jeff Frey

Copyright © 2002

Group Meeting: Wednesday, March 6, 2002


Minutes
  • The meeting was held over the lunch hour instead of at 9 a.m. -- I personally much preferred this time slot!
  • Presentations were given by:
    • Yoshikawa: Review of quantum-calculation results for nitrogen/oxygen-on-graphite binding energies
    • Frey: Lennard-Jones interaction of nitrogen/oxygen-on-graphite, Steele potential (unstructured) vs. a structured model
    • Pesché: simulation results, nitrogen/oxygen-on-P216,C168, using Steele potential, relaxed vs. frozen carbon structure
    • Klauda: progress with quantum-calculated nitrogen/oxygen-in-Schwarzite interaction energies, fitting of data to analytical potential
  • Meeting was followed by a seminar; polymeric oxygen/nitrogen separation technologies
- J. T. Frey

Documents/Presentations

Raphaël Pesché

 Downloads/Links

Online Presentation - 03.06.2002 Mtg.


Jeff Frey

Updated version of the TubeGen program includes a web-accessible interface for generating Gaussian or WIEN input files.
 Downloads/Links

Online Presentation - 03.06.2002 Mtg.

Updated version of TubeGen


Jeff Klauda

 Downloads/Links

Online Presentation - 03.06.2002 Mtg.