| 1999 |
|---|
| 4 | EE | Jesús Pitarch,
Juan-Luis Pascual-Ahuir,
Estanislao Silla,
Iñaki Tuñón,
Manuel F. Ruiz-López:
Modeling -lactam interactions in aqueous solution through combined quantum mechanics-molecular mechanics methods.
Journal of Computational Chemistry 20(13): 1401-1411 (1999) |
| 1996 |
|---|
| 3 | EE | Iñaki Tuñón,
Marilia T. C. Martins-Costa,
Claude Millot,
Manuel F. Ruiz-López,
Jean-Louis Rivail:
A coupled density functional-molecular mechanics Monte Carlo simulation method: The water molecule in liquid water.
Journal of Computational Chemistry 17(1): 19-29 (1996) |
| 2 | EE | Iñaki Tuñón,
Manuel F. Ruiz-López,
Daniel Rinaldi,
Juan Bertrán:
Computation of hydration free energies using a parameterized continuum model: Study of equilibrium geometries and reactive processes in water solution.
Journal of Computational Chemistry 17(2): 148-155 (1996) |
| 1994 |
|---|
| 1 | | Juan-Luis Pascual-Ahuir,
Estanislao Silla,
Iñaki Tuñón:
GEPOL: An Improved Description of Molecular Surfaces. III. A New Algorithm for the Computation of a Silvent- Excluding Surface.
Journal of Computational Chemistry 15(10): 1127-1139 (1994) |
