Static and dynamic density functional investigation of hydrated beryllium dications
- D. Marx
- E.S. Fois
- et al.
- 1996
- International Journal of Quantum Chemistry
Publications
77 results for Michele Parrinello
Carboplatin versus cisplatin: density functional approach to their molecular properties
- Elena Tornaghi
- Wanda Andreoni
- et al.
- 1995
- Chemical Physics Letters
Density functional study of small aqueous Be2+ clusters
- D. Marx
- J. Hutter
- et al.
- 1995
- Chemical Physics Letters
Structural quantum effects and three-centre two-electron bonding in CH+5
- Dominik Marx
- Michele Parrinello
- 1995
- Nature
Structure and bonding in cisplatin and other Pt(II) complexes
- Paolo Carloni
- Wanda Andreoni
- et al.
- 1995
- Chemical Physics Letters
Molecular structure and chemical bonding in K3C60 and K6C60
- Wanda Andreoni
- Paolo Giannozzi
- et al.
- 1995
- Physical Review B
Ab initio molecular dynamics simulation of the solvation and transport of hydronium and hydroxyl ions in water
- M. Tuckerman
- K. Laasonen
- et al.
- 1995
- The Journal of Chemical Physics
Ab initio molecular dynamics simulation of the solvation and transport of H3O+ and OH- ions in water
- Mark Tuckerman
- Kari Laasonen
- et al.
- 1995
- Journal of Physical Chemistry
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
Ab initio molecular dynamics of H2O adsorbed on solid MgO
- Walter Langel
- Michele Parrinello
- 1995
- The Journal of Chemical Physics