Finite-temperature characterization of ferrocene from first-principles molecular dynamics simulations
- Peter Margl
- Karlheinz Schwarz
- et al.
- 1994
- The Journal of Chemical Physics
Paper
Publications
43 results for P.E. Blöchl
Adsorption and scanning-tunneling-microscope imaging of benzene on graphite and MoS2
- A.J. Fisher
- P.E. Blöchl
- 1993
- Physical Review Letters
PaperFirst-principles calculations of self-diffusion constants in silicon
- Peter E. Blöchl
- Enrico Smargiassi
- et al.
- 1993
- Physical Review Letters
PaperFirst-principles calculations of hyperfine parameters
- Chris G. Van De Walle
- P.E. Blöchl
- 1993
- Physical Review B
PaperCrystal 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
PaperHypothetical Carbon Modifications Derived from Zeolite Frameworks
- Reinhard Nesper
- Karlheinz Vogel
- et al.
- 1993
- Angewandte Chemie International Edition in English
PaperInteracting loop-current model of superconducting networks
- C.C. Chi
- P. Santhanam
- et al.
- 1992
- Journal of Low Temperature Physics
PaperNative defects and self-compensation in ZnSe
- D.B. Laks
- C.G. Van De Walle
- et al.
- 1992
- Physical Review B
PaperAdiabaticity in first-principles molecular dynamics
- Peter E. Blöchl
- M. Parrinello
- 1992
- Physical Review B
PaperPhase boundary of superconducting networks: A new approximation scheme
- C.C. Chi
- P. Santhanam
- et al.
- 1990
- Physical Review B
Paper