2006 |
5 | EE | Carles Curutchet,
Modesto Orozco,
F. Javier Luque,
Benedetta Mennucci,
Jacopo Tomasi:
Dispersion and repulsion contributions to the solvation free energy: Comparison of quantum mechanical and classical approaches in the polarizable continuum model.
Journal of Computational Chemistry 27(15): 1769-1780 (2006) |
2003 |
4 | EE | Carles Curutchet,
Albert Salichs,
Xavier Barril,
Modesto Orozco,
Francisco Javier Luque:
Transferability of fragmental contributions to the octanol/water partition coefficient: An NDDO-based MST study.
Journal of Computational Chemistry 24(1): 32-45 (2003) |
3 | EE | Carles Curutchet,
Josep María Bofill,
Begoña Hernández,
Modesto Orozco,
F. Javier Luque:
Energy decomposition in molecular complexes: Implications for the treatment of polarization in molecular simulations.
Journal of Computational Chemistry 24(10): 1263-1275 (2003) |
2 | EE | Carles Curutchet,
Christopher J. Cramer,
Donald G. Truhlar,
Manuel F. Ruiz-López,
Daniel Rinaldi,
Modesto Orozco,
F. Javier Luque:
Electrostatic component of solvation: Comparison of SCRF continuum models.
Journal of Computational Chemistry 24(3): 284-297 (2003) |
2001 |
1 | EE | Carles Curutchet,
Modesto Orozco,
F. Javier Luque:
Solvation in octanol: parametrization of the continuum MST model.
Journal of Computational Chemistry 22(11): 1180-1193 (2001) |