| 2008 |
|---|
| 5 | EE | Fabienne Bessac,
Feliu Maseras:
DFT modeling of reactivity in an ionic liquid: How many ion pairs?
Journal of Computational Chemistry 29(6): 892-899 (2008) |
| 2006 |
|---|
| 4 | EE | Jean-Didier Maréchal,
Feliu Maseras,
Agustí Lledós,
Liliane Mouawad,
David Pérahia:
A DFT study on the relative affinity for oxygen of the and subunits of hemoglobin.
Journal of Computational Chemistry 27(12): 1446-1453 (2006) |
| 2000 |
|---|
| 3 | EE | Jean-Didier Maréchal,
Guada Barea,
Feliu Maseras,
Agustí Lledós,
Liliane Mouawad,
David Pérahia:
Theoretical modeling of the heme group with a hybrid QM/MM method.
Journal of Computational Chemistry 21(4): 282-294 (2000) |
| 2 | EE | Ramón Bosque,
Feliu Maseras:
Performance of the semiempirical PM3 (tm) method in the geometry optimization of transition metal complexes.
Journal of Computational Chemistry 21(7): 562-571 (2000) |
| 1995 |
|---|
| 1 | | Feliu Maseras,
Keiji Morokuma:
IMOMM: A New Integrated Ab Initio + Molecular Mechanics Geometry Optimization Scheme of Equilibrium Structures and Transition States.
Journal of Computational Chemistry 16(9): 1170-1179 (1995) |
