| 1 |
Theoretical Study of the Aluminum Distribution Effects on the Double Proton Transfer Mechanisms upon Adsorption of 4,4'-Bipyridine on H-ZSM-5
Akacem Y, Castella-Ventura M, Kassab E
Journal of Physical Chemistry A, 116(4), 1261, 2012 |
| 2 |
Theoretical study of pyridine and 4,4'-bipyridine adsorption on the Lewis acid sites of alumina surfaces based on ab initio and density functional cluster calculations
Kassab E, Castella-Ventura M
Journal of Physical Chemistry B, 109(28), 13716, 2005 |
| 3 |
A surprising asymmetric structure for the short-lived excited S-1 state of 4,4 '-bipyridine
De Waele V, Buntinx G, Poizat O, Flament JP, Kassab E
Journal of Chemical Physics, 110(13), 6353, 1999 |
| 4 |
Ab initio calculations of carbonyl adsorption complexes at zeolitic Bronsted sites simulated by model clusters: Role of modeling
Kassab E, Jessri H, Allavena M, White D
Journal of Physical Chemistry A, 103(15), 2766, 1999 |
| 5 |
Ab-initio calculations on arginine-disulfide complexes modeling the one-electron reduction of lysozyme. Comparison to an experimental reinvestigation
Berges J, Kassab E, Conte D, Adjadj E, HoueeLevin C
Journal of Physical Chemistry A, 101(42), 7809, 1997 |
| 6 |
Ab-Initio Computations of the Geometrical, Electronic, and Vibrational Properties of the Ground-State, the Anion-Radical, and the N,N’-Dihydro Cation-Radical of 4,4’-Bipyridine Compared to Transient Raman-Spectra
Ouldmoussa L, Poizat O, Castellaventura M, Buntinx G, Kassab E
Journal of Physical Chemistry, 100(6), 2072, 1996 |
| 7 |
Calculation of the Reaction of Ethylene, Propene, and Acetylene on Zeolite Models
Evleth EM, Kassab E, Jessri H, Allavena M, Montero L, Sierra LR
Journal of Physical Chemistry, 100(27), 11368, 1996 |
| 8 |
Carbonyl C-13 Shielding Tensors and Heats of Adsorption of Acetone Adsorbed in Silicalite and the 1/1 Stoichiometric Complex in H-ZSM-5
Sepa J, Lee C, Gorte RJ, White D, Kassab E, Evleth EM, Jessri H, Allavena M
Journal of Physical Chemistry, 100(47), 18515, 1996 |
| 9 |
Calculation of the Exchange Mechanism of D-2 and CD4 with a Zeolite Model
Evleth EM, Kassab E, Sierra LR
Journal of Physical Chemistry, 98(5), 1421, 1994 |
