"Ab initio" liquid water
- K. Laasonen
- M. Sprik
- et al.
- 1993
- The Journal of Chemical Physics
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77 results for Michele Parrinello
Reconstruction of the diamond (1 1 1) surface
- Simonetta Iarlori
- Giulia Galli
- et al.
- 1993
- Physica B: Physics of Condensed Matter
Chemical order in amorphous covalent alloys. A theoretical study of a-SiC
- Fabio Finocchi
- Giulia Galli
- et al.
- 1993
- Physica B: Physics of Condensed Matter
A possible new highly stable fulleride cluster: Li12C60
- Jorge Kohanoff
- Wanda Andreoni
- et al.
- 1992
- Chemical Physics Letters
Zero-point-motion effects on the structure of C60
- Jorge Kohanoff
- Wanda Andreoni
- et al.
- 1992
- Physical Review B
Si(111):Na: Structural and electronic properties from ab initio molecular dynamics
- Isabelle Moullet
- Wanda Andreoni
- et al.
- 1992
- Physical Review B
Water dimer properties in the gradient-corrected density functional theory
- K. Laasonen
- F. Csajka
- et al.
- 1992
- Chemical Physics Letters
Alkali adsorption on Si(111) surfaces: ab initio molecular dynamics studies
- Isabelle Moullet
- Wanda Andreoni
- et al.
- 1992
- Surface Science
Adiabaticity in first-principles molecular dynamics
- Peter E. Blöchl
- M. Parrinello
- 1992
- Physical Review B
Impurity states in doped fullerenes: C59B and C59N
- Wanda Andreoni
- François Gygi
- et al.
- 1992
- Chemical Physics Letters