2008 |
4 | EE | Miquel Torrent-Sucarrat,
Pedro Salvador,
Miquel Solà,
Paul Geerlings:
The hardness kernel as the basis for global and local reactivity indices.
Journal of Computational Chemistry 29(7): 1064-1072 (2008) |
2007 |
3 | EE | Miquel Torrent-Sucarrat,
Pedro Salvador,
Paul Geerlings,
Miquel Solà:
On the quality of the hardness kernel and the Fukui function to evaluate the global hardness.
Journal of Computational Chemistry 28(2): 574-583 (2007) |
2001 |
2 | EE | Béla Paizs,
Pedro Salvador,
Attila G. Császár,
Miquel Duran,
Sándor Suhai:
Intermolecular bond lengths: extrapolation to the basis set limit on uncorrected and BSSE-corrected potential energy hypersurfaces.
Journal of Computational Chemistry 22(2): 196-207 (2001) |
1 | EE | Pedro Salvador,
Béla Paizs,
Miquel Duran,
Sándor Suhai:
On the effect of the BSSE on intermolecular potential energy surfaces. Comparison of a priori and a posteriori BSSE correction schemes.
Journal of Computational Chemistry 22(7): 765-786 (2001) |