| 1 |
Characterization of chemical reactions from the profiles of energy, chemical potential and hardness
Toro-Labbe A
Journal of Physical Chemistry A, 103(22), 4398, 1999 |
| 2 |
Binding energies of silver ion ligand, L, complexes AgL2+ determined from ligand-exchange equilibria in the gas phase
Deng HT, Kebarle P
Journal of Physical Chemistry A, 102(3), 571, 1998 |
| 3 |
Reactivity indices in density functional theory : A new evaluation of the condensed Fukui function by numerical integration
Gilardoni F, Weber J, Chermette H, Ward TR
Journal of Physical Chemistry A, 102(20), 3607, 1998 |
| 4 |
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 |
| 5 |
Reactions between M-n (M = Nb, Mo and n = 1, 2, 3, and 4) and N-2. A density functional study
Berces A, Mitchell SA, Zgierski MZ
Journal of Physical Chemistry A, 102(31), 6340, 1998 |
| 6 |
The internal rotation of hydrogen thioperoxide : Energy, chemical potential, and hardness profiles
Cardenas-Jiron GI, Letelier JR, Toro-Labbe A
Journal of Physical Chemistry A, 102(40), 7864, 1998 |
| 7 |
Bond energies of copper ion-ligand L complexes CuL2+ determined in the gas phase by ion-ligand exchange equilibria measurements
Deng HT, Kebarle P
Journal of the American Chemical Society, 120(12), 2925, 1998 |
| 8 |
Aromaticity, Electronic-Structure and Molecular Dimension in the Adsorption of Organic-Compounds on Mercury .2. Intermolecular Interactions Among Adsorbed Molecules
Fontanesi C, Benedetti L
Electrochimica Acta, 42(9), 1373, 1997 |
| 9 |
Modeling of Voltage-Application to Metallic Electrodes Using Density-Functional Theory
Bureau C, Lecayon G
Journal of Chemical Physics, 106(21), 8821, 1997 |
| 10 |
Relations Between Potential-Energy, Electronic Chemical-Potential, and Hardness Profiles
Cardenasjiron GI, Gutierrezoliva S, Melin J, Torolabbe A
Journal of Physical Chemistry A, 101(25), 4621, 1997 |
