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E. Kassab

Theoretical study of solvent effect on intramolecular proton transfer of glycine
2000 · E. Kassab, J. Langlet, et al. · Journal of Molecular Structure THEOCHEM · 126
Theoretical study of the ammoniated NH4 radical and related structures
1987 · E. Kassab, E. M. Evleth · Journal of the American Chemical Society · 93
Theoretical aspects of the photochemistry of methanol, methylamine, and related materials
1983 · E. Kassab, J. T. Gleghorn, et al. · Journal of the American Chemical Society · 80
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
1996 · L. Ould-Moussa, O. Poizat, et al. · The Journal of Physical Chemistry · 72
Vibrational Analysis of Pyridine Adsorption on the Brønsted Acid Sites of Zeolites Based on Density Functional Cluster Calculations
2008 · Yamina Akacem, Emile Kassab · The Journal of Physical Chemistry C · 71
Comparative semiempirical and ab initio study of the harmonic vibrational frequencies of aniline—I. The ground state
1994 · M. Castellá-Ventura, E. Kassab · Spectrochimica Acta Part A Molecular Spectroscopy · 68
Ab initio study of proton-transfer surfaces in zeolite models
1993 · E. Kassab, J. Fouquet, et al. · The Journal of Physical Chemistry · 57
Quantum-chemical model calculations on the acidic site of zeolites including Madelung-potential effects
1990 · M. Allavena, K. Seiti, et al. · Chemical Physics Letters · 54
A comparative theoretical analysis of the photochemistry of the methyl radical and related systems
1984 · H. T. Yu, A. Sevin, et al. · The Journal of Chemical Physics · 54
Calculation of the Reaction of Ethylene, Propene, and Acetylene on Zeolite Models
1996 · E. M. Evleth, E. Kassab, et al. · The Journal of Physical Chemistry · 53
Calculation of the Exchange Mechanism of D2 and CD4 with a Zeolite Model
1994 · E. M. Evleth, E. Kassab, et al. · The Journal of Physical Chemistry · 51
Valence-bond calculations with polarized atomic orbitals
1984 · G. Chambaud, M. Gérard-Aïn, et al. · Chemical Physics · 50
Carbonyl 13 C Shielding Tensors and Heats of Adsorption of Acetone Adsorbed in Silicalite and the 1:1 Stoichiometric Complex in H−ZSM-5
1996 · Jelena Šepa, C. Lee, et al. · The Journal of Physical Chemistry · 49
Vibrational analysis of some transient species implicated in the photoreduction of 4,4′-bipyridine based onab initio and density functional calculations
1998 · Martine Castellà-Ventura, Emile Kassab · Journal of Raman Spectroscopy · 48
Structure of the anion radical of 2,2′-bipyridine in solution
2000 · M. Castellà-Ventura, E. Kassab, et al. · Physical Chemistry Chemical Physics · 47
Determination of structure and acidity scales in zeolite systems by ab initio and pseudopotential calculations
1988 · E. Kassab, K. Seiti, et al. · The Journal of Physical Chemistry · 44
Theoretical determination of relative acidity in zeolite (faujasite)
1991 · E. Kassab, K. Seiti, et al. · The Journal of Physical Chemistry · 40
Some computationally based speculations on the photochemistry of ammonia clusters
1984 · H. Z. Cao, E. M. Evleth, et al. · The Journal of Chemical Physics · 39
Theoretical characterization of the rotational motion of ammonium ion in water clusters
1990 · E. Kassab, E. M. Evleth, et al. · Journal of the American Chemical Society · 38
Ab initio and density functional study of the geometrical, electronic and vibrational properties of 2,2?-bipyridine
2000 · L. Ould-Moussa, M. Castell�-Ventura, et al. · Journal of Raman Spectroscopy · 34
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
2005 · Emile Kassab, Martine Castellà-Ventura · The Journal of Physical Chemistry B · 33
Ab-Initio Calculations on Arginine−Disulfide Complexes Modeling the One-Electron Reduction of Lysozyme. Comparison to an Experimental Reinvestigation
1997 · Jacqueline Bergès, Emile Kassab, et al. · The Journal of Physical Chemistry A · 32
Theoretical Study of 4,4′-Bipyridine Adsorption on the Brønsted Acid Sites of H-ZSM-5 Zeolite
2009 · Emile Kassab, Martine Castellà-Ventura, et al. · The Journal of Physical Chemistry C · 21
Ground- and excited-state correlations in bond rupture reactions
1978 · E. M. Evleth, E. Kassab · Journal of the American Chemical Society · 20
The 13C chemical shielding, 14N quadropole and the dipolar tensors of the nitrile group in the hydrogen-bonded acetonitrile-H-ZSM-5 adsorption complex
1996 · Jelena Šepa, R.J. Gorte, et al. · Chemical Physics Letters · 19
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Works count: 66
Citation count: 1,549
H-index: 22
I10-index: 36
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