| 1 |
A computational and conceptual density functional theory study of the properties of Re and Tc tricarbonyl complexes
Safi B, Mertens J, De Proft F, Geerlings P
Journal of Physical Chemistry A, 110(29), 9240, 2006 |
| 2 |
Relative stability of mixed [3+1] Tc and Re complexes: a computational and conceptual DFT study
Safi B, Mertens J, De Proft F, Alberto R, Geerlings P
Journal of Physical Chemistry A, 109(9), 1944, 2005 |
| 3 |
Quantum chemical study of the thermodynamic and kinetic aspects of the S(N)2 reaction in gas phase and solution using a DFT interpretation
Safi B, Choho K, Geerlings P
Journal of Physical Chemistry A, 105(3), 591, 2001 |
| 4 |
Solvent effect on the global and atomic DFT-based reactivity descriptors using the effective fragment potential model. Solvation of ammonia
Balawender R, Safi B, Geerlings P
Journal of Physical Chemistry A, 105(27), 6703, 2001 |
| 5 |
Solvent effect on electronegativity, hardness, condensed Fukui functions, and softness, in a large series of diatomic and small polyatomic molecules: Use of the EFP model
Safi B, Balawender R, Geerlings P
Journal of Physical Chemistry A, 105(49), 11102, 2001 |
| 6 |
Organics destruction
Mulligan C, Safi B, Mercier P, Chebib J
Chemical Engineering, 105(3), 137, 1998 |
| 7 |
Theoretical study of the solvent effect on functional group properties and on the charge distribution and acidity of alkyl-substituted alcohols
Safi B, Choho K, De Proft F, Geerlings P
Journal of Physical Chemistry A, 102(27), 5253, 1998 |
| 8 |
Performances of a Full-Scale Novel Multiplate Anaerobic Reactor Treating Cheese Whey Effluent
Guiot SR, Safi B, Frigon JC, Mercier P, Mulligan P, Tremblay R, Samson R
Biotechnology and Bioengineering, 45(5), 398, 1995 |
