Publications

18 results for Karlheinz Schwarz

CrO₂ predicted as a half-metallic ferromagnet
- - K. Schwarz
- 2000
- Journal of Physics F: Metal Physics
First-principles molecular dynamics study of small molecules in zeolites
- - Karlheinz Schwarz
  - Ernst Nusterer
  - et al.
- 1999
- Catalysis Today
Ab initio molecular dynamics calculations to study catalysis
- - K. Schwarz
  - E. Nusterer
  - et al.
- 1997
- International Journal of Quantum Chemistry
Interaction of water and methanol with a zeolite at high coverages
- - E. Nusterer
  - P.E. Blöchl
  - et al.
- 1996
- Chemical Physics Letters
Ab initio molecular-dynamics study of diffusion and defects in solidN
- - J. Sarnthein
  - K. Schwarz
  - et al.
- 1996
- Physical Review B - CMMP
Structure and Dynamics of Methanol in a Zeolite
- - Ernst Nusterer
  - Peter E. Blöchl
  - et al.
- 1996
- Angewandte Chemie (International Edition in English)
Dynamics of beryllocene
- - Peter Margl
  - Karlheinz Schwarz
  - et al.
- 1995
- The Journal of Chemical Physics
Fluxional Dynamics of Beryllocene
- - Peter Margl
  - Karlheinz Schwarz
  - et al.
- 1994
- JACS
Finite-temperature characterization of ferrocene from first-principles molecular dynamics simulations
- - Peter Margl
  - Karlheinz Schwarz
  - et al.
- 1994
- The Journal of Chemical Physics
First-principles calculations of the instability leading to the Invar effect
- - P. Entel
  - E. Hoffmann
  - et al.
- 1993
- Physical Review B