Publications

77 results for Michele Parrinello

Static and dynamic density functional investigation of hydrated beryllium dications
- - D. Marx
  - E.S. Fois
  - et al.
- 1996
- International Journal of Quantum Chemistry
Paper
Carboplatin versus cisplatin: density functional approach to their molecular properties
- - Elena Tornaghi
  - Wanda Andreoni
  - et al.
- 1995
- Chemical Physics Letters
Paper
Density functional study of small aqueous Be²⁺ clusters
- - D. Marx
  - J. Hutter
  - et al.
- 1995
- Chemical Physics Letters
Paper
Structural quantum effects and three-centre two-electron bonding in CH⁺₅
- - Dominik Marx
  - Michele Parrinello
- 1995
- Nature
Paper
Structure and bonding in cisplatin and other Pt(II) complexes
- - Paolo Carloni
  - Wanda Andreoni
  - et al.
- 1995
- Chemical Physics Letters
Paper
Molecular structure and chemical bonding in K3C60 and K6C60
- - Wanda Andreoni
  - Paolo Giannozzi
  - et al.
- 1995
- Physical Review B
Paper
Integrating the Car-Parrinello equations. III. Techniques for ultrasoft pseudopotentials
- - Jürg Hutter
  - Mark Tuckerman
  - et al.
- 1995
- The Journal of Chemical Physics
Paper
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
Paper
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
Paper
Ab initio molecular dynamics of H₂O adsorbed on solid MgO
- - Walter Langel
  - Michele Parrinello
- 1995
- The Journal of Chemical Physics
Paper