| 2006 |
|---|
| 4 | EE | Arianna Fornili,
Yohann Moreau,
Maurizio Sironi,
Xavier Assfeld:
On the suitability of strictly localized orbitals for hybrid QM/MM calculations.
Journal of Computational Chemistry 27(4): 515-523 (2006) |
| 2002 |
|---|
| 3 | EE | Nicolas Ferré,
Xavier Assfeld,
Jean-Louis Rivail:
Specific force field parameters determination for the hybrid ab initio QM/MM LSCF method.
Journal of Computational Chemistry 23(6): 610-624 (2002) |
| 1999 |
|---|
| 2 | EE | P. Aplincourt,
Manuel F. Ruiz-López,
Xavier Assfeld,
F. Bohr:
Structure of isolated and solvated peroxyl radicals.
Journal of Computational Chemistry 20(10): 1039-1048 (1999) |
| 1994 |
|---|
| 1 | | Xavier Assfeld,
Manuel F. Ruiz-López,
J. Gonzalez,
Ramón López,
José A. Sordo,
Tomás L. Sordo Gonzalo:
Theoretical Analysis of the Role of the Solvent on the Reaction on the Reaction Mechanismus: One-Step versus Two-Step Ketene-Imine Cycloaddition.
Journal of Computational Chemistry 15(5): 479-487 (1994) |
