Publications

110 results for Wanda Andreoni

Efficient linear scaling geometry optimization and transition-state search for direct wavefunction optimization schemes in density functional theory using a plane-wave basis
- - Salomon R. Billeter
  - Alessandro Curioni
  - et al.
- 2003
- Computational Materials Science
Paper
The elusiveness of coffee aroma: New insights from a non-empirical approach
- - Lindsey J. Munro
  - Alessandro Curioni
  - et al.
- 2003
- Journal of Agricultural and Food Chemistry
Paper
Decanethiols on gold: The structure of self-assembled monolayers unraveled with computer simulations
- - Dominik Fischer
  - Alessandro Curioni
  - et al.
- 2003
- Langmuir
Paper
The binding mode of progesterone to its receptor deduced from molecular dynamics simulations
- - Tiziana Mordasini
  - Alessandro Curioni
  - et al.
- 2003
- ChemBioChem
Paper
Why do divalent metal ions either promote or inhibit enzymatic reactions? The case of BamHI restriction endonuclease from combined quantum-classical simulations
- - Tiziana Mordasini
  - Alessandro Curioni
  - et al.
- 2003
- Journal of Biological Chemistry
Paper
Chemisorption on small clusters: Can vertical detachment energy measurements provide chemical information? H on Au as a case study
- - Dominik Fischer
  - Wanda Andreoni
  - et al.
- 2002
- Chemical Physics Letters
Paper
Size dependence of the structural properties of transition-metal aggregates from an empirical interatomic potential scheme
- - Louis Marville
  - Wanda Andreoni
- 2002
- Journal of Physical Chemistry
Paper
Density-Functional-Theory-Based Molecular Dynamics Study of 1, 3, 5-Trioxane and 1, 3-Dioxolane Protolysis
- - Alessandro Curioni
  - Wanda Andreoni
  - et al.
- 2002
- JACS
Paper
N-type organic thin-film transistor with high field-effect mobility based on a N,N^′-dialkyl-3,4,9,10-perylene tetracarboxylic diimide derivative
- - Patrick R. L. Malenfant
  - Christos D. Dimitrakopoulos
  - et al.
- 2002
- Applied Physics Letters
Paper
Computer simulations for organic light-emitting diodes
- - A. Curioni
  - W. Andreoni
- 2001
- IBM J. Res. Dev
Paper