Fluxional Dynamics of Beryllocene
- Peter Margl
- Karlheinz Schwarz
- et al.
- 1994
- JACS
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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
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