AAAAAA

   
Results: 1-13 |
Results: 13
VIBRATIONAL ANALYSIS OF SOME TRANSIENT SPECIES IMPLICATED IN THE PHOTOREDUCTION OF 4,4'-BIPYRIDINE BASED ON AB-INITIO AND DENSITY-FUNCTIONAL CALCULATIONS
Authors: CASTELLAVENTURA M KASSAB E
Citation: M. Castellaventura et E. Kassab, VIBRATIONAL ANALYSIS OF SOME TRANSIENT SPECIES IMPLICATED IN THE PHOTOREDUCTION OF 4,4'-BIPYRIDINE BASED ON AB-INITIO AND DENSITY-FUNCTIONAL CALCULATIONS, Journal of Raman spectroscopy, 29(6), 1998, pp. 511-536
ELECTROSTATIC NATURE OF CATALYTIC EFFECTS RESULTING FROM SI GREATER-THAN AL SUBSTITUTIONS IN ZMS-5 ZEOLITE
Authors: DZIEKONSKI P SOKALSKI WA KASSAB E ALLAVENA M
Citation: P. Dziekonski et al., ELECTROSTATIC NATURE OF CATALYTIC EFFECTS RESULTING FROM SI GREATER-THAN AL SUBSTITUTIONS IN ZMS-5 ZEOLITE, Chemical physics letters, 288(2-4), 1998, pp. 538-544
AB-INITIO CALCULATIONS ON ARGININE-DISULFIDE COMPLEXES MODELING THE ONE-ELECTRON REDUCTION OF LYSOZYME - COMPARISON TO AN EXPERIMENTAL REINVESTIGATION
Authors: BERGES J KASSAB E CONTE D ADJADJ E HOUEELEVIN C
Citation: J. Berges et al., AB-INITIO CALCULATIONS ON ARGININE-DISULFIDE COMPLEXES MODELING THE ONE-ELECTRON REDUCTION OF LYSOZYME - COMPARISON TO AN EXPERIMENTAL REINVESTIGATION, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(42), 1997, pp. 7809-7817
THEORETICAL APPROACHES OF COMPLEXATION OF 2 SULFUR-CONTAINING-COMPOUNDS - N-ACETYLCYSTEINE AND DIMETHYLDISULFIDE RADICAL
Authors: BERGES J ABEDINZADEH Z HOUEELEVIN C CONTE D LANGLET J KASSAB E
Citation: J. Berges et al., THEORETICAL APPROACHES OF COMPLEXATION OF 2 SULFUR-CONTAINING-COMPOUNDS - N-ACETYLCYSTEINE AND DIMETHYLDISULFIDE RADICAL, Journal de chimie physique et de physico-chimie biologique, 93(1), 1996, pp. 7-11
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
Authors: OULDMOUSSA L POIZAT O CASTELLAVENTURA M BUNTINX G KASSAB E
Citation: L. Ouldmoussa et al., 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, Journal of physical chemistry, 100(6), 1996, pp. 2072-2082
CARBONYL C-13 SHIELDING TENSORS AND HEATS OF ADSORPTION OF ACETONE ADSORBED IN SILICALITE AND THE 1 1 STOICHIOMETRIC COMPLEX IN H-ZSM-5/
Authors: SEPA J LEE C GORTE RJ WHITE D KASSAB E EVLETH EM JESSRI H ALLAVENA M
Citation: J. Sepa et al., CARBONYL C-13 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(47), 1996, pp. 18515-18523
CALCULATION OF THE REACTION OF ETHYLENE, PROPENE, AND ACETYLENE ON ZEOLITE MODELS
Authors: EVLETH EM KASSAB E JESSRI H ALLAVENA M MONTERO L SIERRA LR
Citation: Em. Evleth et al., CALCULATION OF THE REACTION OF ETHYLENE, PROPENE, AND ACETYLENE ON ZEOLITE MODELS, Journal of physical chemistry, 100(27), 1996, pp. 11368-11374
THE C-13 CHEMICAL SHIELDING, N-14 QUADRUPOLE AND THE DIPOLAR TENSORS OF THE NITRILE GROUP IN THE HYDROGEN-BONDED ACETONITRILE-H-ZSM-5 ADSORPTION COMPLEX
Authors: SEPA J GORTE RJ WHITE D KASSAB E ALLAVENA M
Citation: J. Sepa et al., THE C-13 CHEMICAL SHIELDING, N-14 QUADRUPOLE AND THE DIPOLAR TENSORS OF THE NITRILE GROUP IN THE HYDROGEN-BONDED ACETONITRILE-H-ZSM-5 ADSORPTION COMPLEX, Chemical physics letters, 262(3-4), 1996, pp. 321-328
THE APPLICATION OF LOCALIZED REPRESENTATION IN THE CALCULATION OF INTERACTION ENERGY
Authors: KOZMUTZA C KAPUY E EVLETH EM KASSAB E
Citation: C. Kozmutza et al., THE APPLICATION OF LOCALIZED REPRESENTATION IN THE CALCULATION OF INTERACTION ENERGY, Journal of molecular structure. Theochem, 332(1-2), 1995, pp. 141-149
COMPARATIVE SEMIEMPIRICAL AND AB-INITIO STUDY OF THE HARMONIC VIBRATIONAL FREQUENCIES OF ANILINE .1. THE GROUND-STATE
Authors: CASTELLAVENTURA M KASSAB E
Citation: M. Castellaventura et E. Kassab, COMPARATIVE SEMIEMPIRICAL AND AB-INITIO STUDY OF THE HARMONIC VIBRATIONAL FREQUENCIES OF ANILINE .1. THE GROUND-STATE, Spectrochimica acta. Part A: Molecular spectroscopy, 50(1), 1994, pp. 69-86
CALCULATION OF THE EXCHANGE MECHANISM OF D-2 AND CD4 WITH A ZEOLITE MODEL
Authors: EVLETH EM KASSAB E SIERRA LR
Citation: Em. Evleth et al., CALCULATION OF THE EXCHANGE MECHANISM OF D-2 AND CD4 WITH A ZEOLITE MODEL, Journal of physical chemistry, 98(5), 1994, pp. 1421-1426
PROTON-TRANSFER IN ZEOLITES - A SUMMARY OF RECENT AB-INITIO CALCULATIONS
Authors: ALLAVENA M KASSAB E EVLETH E
Citation: M. Allavena et al., PROTON-TRANSFER IN ZEOLITES - A SUMMARY OF RECENT AB-INITIO CALCULATIONS, Journal of molecular structure, 325, 1994, pp. 85-93
AB-INITIO STUDY OF PROTON-TRANSFER SURFACES IN ZEOLITE MODELS
Authors: KASSAB E FOUQUET J ALLAVENA M EVLETH EM
Citation: E. Kassab et al., AB-INITIO STUDY OF PROTON-TRANSFER SURFACES IN ZEOLITE MODELS, Journal of physical chemistry, 97(35), 1993, pp. 9034-9039
Risultati: 1-13 |