Marcel Allavena, Ph.D.
Affiliations: | Chemistry | Université Pierre et Marie Curie/CNRS |
Area:
Theoretical ChemistryGoogle:
"Marcel Allavena"Mean distance: 11.19
Parents
Sign in to add mentor| Raymond Daudel | grad student | 1966 | Université Pierre et Marie Curie/CNRS | |
| (Calcul des constantes de force des hydrures MHn à l'aide des fonctions d'onde électronique) | ||||
Children
Sign in to add trainee| Estela Blaisten-Barojas | grad student | Universite Sorbonne (former Paris VI, Universite Pierre et Marie Curie) (MathTree) |
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Publications
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| Kassab E, Jessri H, Allavena M, et al. (1999) Ab Initio Calculations of Carbonyl Adsorption Complexes at Zeolitic Brönsted Sites Simulated by Model Clusters: Role of Modeling Journal of Physical Chemistry A. 103: 2766-2774 |
| Dzieko?ski P, Sokalski WA, Kassab E, et al. (1998) Electrostatic nature of catalytic effects resulting from Si>Al substitutions in ZMS-5 zeolite Chemical Physics Letters. 288: 538-544 |
| Šepa J, Lee C, Gorte RJ, et al. (1996) Carbonyl 13C shielding tensors and heats of adsorption of acetone adsorbed in silicalite and the 1:1 stoichiometric complex in H-ZSM-5 Journal of Physical Chemistry. 100: 18515-18523 |
| Šepa J, Gorte RJ, White D, et al. (1996) The 13C chemical shielding, 14N quadrupole and the dipolar tensors of the nitrile group in the hydrogen-bonded acetonitrile-H-ZSM-5 adsorption complex Chemical Physics Letters. 262: 321-328 |
| Evleth EM, Kassab E, Jessri H, et al. (1996) Calculation of the reaction of ethylene, propene, and acetylene on zeolite models Journal of Physical Chemistry. 100: 11368-11374 |
| Allavena M, Kassab E, Evleth E. (1994) Proton transfer in zeolites: a summary of recent ab initio calculations Journal of Molecular Structure. 325: 85-93 |
| Allavena M, Kassab E. (1993) Molecular interactions in solid state and quantum chemistry: A model problem, the proton transfer in zeolites Solid State Ionics. 61: 33-39 |
| Kassab E, Fouquet J, Allavena M, et al. (1993) Ab initio study of proton-transfer surfaces in zeolite models Journal of Physical Chemistry. 97: 9034-9039 |
| Kassab E, Seiti K, Allavena M. (1991) Theoretical determination of relative acidity in zeolite (Faujasite) Journal of Physical Chemistry. 95: 9425-9431 |
| Allavena M, Seiti K, Kassab E, et al. (1990) Quantum-chemical model calculations on the acidic site of zeolites including Madelung-potential effects Chemical Physics Letters. 168: 461-467 |