Ab initio molecular dynamics simulation of liquid water: Comparison of three gradient-corrected density functionals
- Michiel Sprik
- Jürg Hutter
- et al.
- 1996
- Journal of Chemical Physics
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18 results for Jürg Hutter
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
Structure and bonding in cisplatin and other Pt(II) complexes
- Paolo Carloni
- Wanda Andreoni
- et al.
- 1995
- Chemical Physics Letters
Integrating the Car-Parrinello equations. III. Techniques for ultrasoft pseudopotentials
- Jürg Hutter
- Mark Tuckerman
- et al.
- 1995
- The Journal of Chemical Physics
Electronic structure optimization in plane-wave-based density functional calculations by direct inversion in the iterative subspace
- Jürg Hutter
- Hans Peter Lüthi
- et al.
- 1994
- Computational Materials Science
Exponential transformation of molecular orbitals
- Jürg Hutter
- Michele Parrinello
- et al.
- 1994
- The Journal of Chemical Physics
The molecular structure of C6: A theoretical investigation
- Jürg Hutter
- Hans Peter Lüthi
- 1994
- The Journal of Chemical Physics