Electronic structure of the Cu, Zn superoxide dismutase active site and its interactions with the substrate
- Paolo Carloni
- Peter E. Blöchl
- et al.
- 1995
- Journal of Physical Chemistry
Publications
Date
Featured collections
Popular topics
43 results for P.E. Blöchl
Dynamics of beryllocene
- Peter Margl
- Karlheinz Schwarz
- et al.
- 1995
- The Journal of Chemical Physics
Projector augmented-wave method
- P.E. Blöchl
- 1994
- Physical Review B
Improved tetrahedron method for Brillouin-zone integrations
- Peter E. Blöchl
- O. Jepsen
- et al.
- 1994
- Physical Review B
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 hyperfine parameters
- Chris G. Van De Walle
- P.E. Blöchl
- 1993
- Physical Review B
Crystal orbital hamilton populations (COHP). Energy-resolved visualization of chemical bonding in solids based on density-functional calculations
- Richard Dronskowski
- Peter E. Blöchl
- 1993
- Journal of Physical Chemistry
Hypothetical Carbon Modifications Derived from Zeolite Frameworks
- Reinhard Nesper
- Karlheinz Vogel
- et al.
- 1993
- Angewandte Chemie International Edition in English
Interacting loop-current model of superconducting networks
- C.C. Chi
- P. Santhanam
- et al.
- 1992
- Journal of Low Temperature Physics
Native defects and self-compensation in ZnSe
- D.B. Laks
- C.G. Van De Walle
- et al.
- 1992
- Physical Review B