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Results: 1-20 |
Results: 20
A SEMIEMPIRICAL QUANTUM APPROACH TO THE FORMATION OF CARBON-DIOXIDE ADSORBATES ON PT(100) AND PT(111) CLUSTER SURFACES
Authors: ZINOLA CF GOMISBAS C ESTIU GL CASTRO EA ARVIA AJ
Citation: Cf. Zinola et al., A SEMIEMPIRICAL QUANTUM APPROACH TO THE FORMATION OF CARBON-DIOXIDE ADSORBATES ON PT(100) AND PT(111) CLUSTER SURFACES, Langmuir, 14(14), 1998, pp. 3901-3908
STRUCTURAL AND ELECTRONIC FACTORS ASSOCIATED WITH THE ACTIVITY IN THEGABA-A SYSTEM
Authors: LORENZINI ML BRUNOBLANCH L ESTIU GL
Citation: Ml. Lorenzini et al., STRUCTURAL AND ELECTRONIC FACTORS ASSOCIATED WITH THE ACTIVITY IN THEGABA-A SYSTEM, Journal of molecular structure. Theochem, 454(1), 1998, pp. 1-16
ON THE ORIGIN OF THE LACK OF ANTICONVULSANT ACTIVITY OF SOME VALPROMIDE DERIVATIVES
Authors: TASSO SM BRUNOBLANCH L ESTIU GL
Citation: Sm. Tasso et al., ON THE ORIGIN OF THE LACK OF ANTICONVULSANT ACTIVITY OF SOME VALPROMIDE DERIVATIVES, International journal of quantum chemistry, 70(6), 1998, pp. 1127-1136
THEORETICAL APPROACH TO THE PHARMACOPHORIC PATTERN OF GABA(B) ANALOGS
Authors: LORENZINI ML BRUNOBLANCH L ESTIU GL
Citation: Ml. Lorenzini et al., THEORETICAL APPROACH TO THE PHARMACOPHORIC PATTERN OF GABA(B) ANALOGS, International journal of quantum chemistry, 70(6), 1998, pp. 1195-1208
A FIRST STEP TO THE RATIONAL DESIGN OF AN ORGANOMETALLIC CATALYST - RHXHYSNZ(CH3)(N)
Authors: JUBERT AH MICHELINI MC ESTIU GL FERRETTI OA
Citation: Ah. Jubert et al., A FIRST STEP TO THE RATIONAL DESIGN OF AN ORGANOMETALLIC CATALYST - RHXHYSNZ(CH3)(N), Catalysis letters, 46(3-4), 1997, pp. 241-247
RESONANCE IN AMIDES - COMPARISON OF AB-INITIO AND SEMIEMPIRICAL METHODOLOGIES IN THE DESCRIPTION OF ACETAMIDE
Authors: ESTIU GL
Citation: Gl. Estiu, RESONANCE IN AMIDES - COMPARISON OF AB-INITIO AND SEMIEMPIRICAL METHODOLOGIES IN THE DESCRIPTION OF ACETAMIDE, Journal of molecular structure. Theochem, 401(1-2), 1997, pp. 157-164
PHARMACOPHORIC PATTERN IN VALPROMIDE DERIVATIVES
Authors: TASSO S BRUNOBLANCH L ESTIU GL
Citation: S. Tasso et al., PHARMACOPHORIC PATTERN IN VALPROMIDE DERIVATIVES, International journal of quantum chemistry, 65(6), 1997, pp. 1107-1114
UV-VISIBLE SPECTROSCOPY IN THE INTERPRETATION OF THE TAUTOMERIC EQUILIBRIUM OF '(BIS-3,5-DI-BROMO-SALICYLIDEN)-1,2-DIAMINOBENZENE AND THE REDOX ACTIVITY OF ITS CO(II) COMPLEX - A QUANTUM-CHEMICAL APPROACH
Authors: ESTIU GL JUBERT AH COSTAMAGNA J VARGAS J
Citation: Gl. Estiu et al., UV-VISIBLE SPECTROSCOPY IN THE INTERPRETATION OF THE TAUTOMERIC EQUILIBRIUM OF '(BIS-3,5-DI-BROMO-SALICYLIDEN)-1,2-DIAMINOBENZENE AND THE REDOX ACTIVITY OF ITS CO(II) COMPLEX - A QUANTUM-CHEMICAL APPROACH, Journal of molecular structure. Theochem, 367, 1996, pp. 97-110
STRUCTURAL, ELECTRONIC, AND MAGNETIC-PROPERTIES OF SMALL NI CLUSTERS
Authors: ESTIU GL ZERNER MC
Citation: Gl. Estiu et Mc. Zerner, STRUCTURAL, ELECTRONIC, AND MAGNETIC-PROPERTIES OF SMALL NI CLUSTERS, Journal of physical chemistry, 100(42), 1996, pp. 16874-16880
QUANTUM-CHEMICAL CALCULATIONS OF THE STRUCTURES AND ELECTRONIC-PROPERTIES OF N'-BIS(3,5-DIBROMOSALICYLIDENE)-1,2-DIAMINOBENZENE AND ITS COBALT(II) COMPLEX - ORIGIN OF THE REDOX ACTIVITY OF THE COBALT COMPLEX
Authors: ESTIU GL JUBERT AH COSTAMAGNA J VARGAS J
Citation: Gl. Estiu et al., QUANTUM-CHEMICAL CALCULATIONS OF THE STRUCTURES AND ELECTRONIC-PROPERTIES OF N'-BIS(3,5-DIBROMOSALICYLIDENE)-1,2-DIAMINOBENZENE AND ITS COBALT(II) COMPLEX - ORIGIN OF THE REDOX ACTIVITY OF THE COBALT COMPLEX, Inorganic chemistry, 35(1), 1996, pp. 263-266
THEORETICAL-STUDY OF THE EFFECT OF HYDROGEN ADSORPTION ON THE ACTIVATION OF SUPPORTED RHODIUM CATALYSTS
Authors: MICHELINI MC JUBERT AH ESTIU GL
Citation: Mc. Michelini et al., THEORETICAL-STUDY OF THE EFFECT OF HYDROGEN ADSORPTION ON THE ACTIVATION OF SUPPORTED RHODIUM CATALYSTS, Journal of molecular structure. Theochem, 335, 1995, pp. 153-159
SEMIEMPIRICAL SCF CI INTERPRETATION OF THE ORIGIN OF THE CATALYTIC ACTIVITY OF TRANSITION METAL-MACROCYCLE COMPLEXES/
Authors: ESTIU GL JUBERT AH MOLINA J COSTAMAGNA J CANALES J VARGAS J
Citation: Gl. Estiu et al., SEMIEMPIRICAL SCF CI INTERPRETATION OF THE ORIGIN OF THE CATALYTIC ACTIVITY OF TRANSITION METAL-MACROCYCLE COMPLEXES/, Journal of molecular structure. Theochem, 330, 1995, pp. 201-210
GROUND-STATE CHARACTERISTICS AND OPTICAL-SPECTRA OF CE AND EU BIS(OCTAETHYLPORPHYRINATE) DOUBLE DECKERS
Authors: ESTIU GL ROSCH N ZERNER MC
Citation: Gl. Estiu et al., GROUND-STATE CHARACTERISTICS AND OPTICAL-SPECTRA OF CE AND EU BIS(OCTAETHYLPORPHYRINATE) DOUBLE DECKERS, Journal of physical chemistry, 99(38), 1995, pp. 13819-13829
QUANTUM-CHEMISTRY IN QSAR - ANTICONVULSIVANT ACTIVITY OF VPA DERIVATIVES
Authors: BRUNOBLANCH L ESTIU GL
Citation: L. Brunoblanch et Gl. Estiu, QUANTUM-CHEMISTRY IN QSAR - ANTICONVULSIVANT ACTIVITY OF VPA DERIVATIVES, International journal of quantum chemistry, 1995, pp. 39-49
A THEORETICAL INVESTIGATION OF THE STRUCTURE AND ELECTRONIC-SPECTRA OF PORPHYRIN HOMOLOG MACROCYCLES - HEXAAZACYCLOPHANE AND ITS NICKEL ANDCOPPER-COMPLEXES
Authors: ESTIU GL JUBERT AH MOLINA J COSTAMAGNA J CANALES J VARGAS J
Citation: Gl. Estiu et al., A THEORETICAL INVESTIGATION OF THE STRUCTURE AND ELECTRONIC-SPECTRA OF PORPHYRIN HOMOLOG MACROCYCLES - HEXAAZACYCLOPHANE AND ITS NICKEL ANDCOPPER-COMPLEXES, Inorganic chemistry, 34(5), 1995, pp. 1212-1220
ICOSAHEDRAL SYMMETRY AND MAGNETIC-PROPERTIES OF SMALL NICKEL METAL-CLUSTERS
Authors: ESTIU GL ZERNER MC
Citation: Gl. Estiu et Mc. Zerner, ICOSAHEDRAL SYMMETRY AND MAGNETIC-PROPERTIES OF SMALL NICKEL METAL-CLUSTERS, Journal of physical chemistry, 98(40), 1994, pp. 9972-9978
A QUANTUM-CHEMICAL APPROACH TO THE INFLUENCE OF PLATINUM SURFACE-STRUCTURE ON THE OXYGEN ELECTROREDUCTION REACTION
Authors: ZINOLA CF ARVIA AJ ESTIU GL CASTRO EA
Citation: Cf. Zinola et al., A QUANTUM-CHEMICAL APPROACH TO THE INFLUENCE OF PLATINUM SURFACE-STRUCTURE ON THE OXYGEN ELECTROREDUCTION REACTION, Journal of physical chemistry, 98(31), 1994, pp. 7566-7576
INTERPLAY BETWEEN GEOMETRIC AND ELECTRONIC-STRUCTURE AND THE MAGNETISM OF SMALL PD CLUSTERS
Authors: ESTIU GL ZERNER MC
Citation: Gl. Estiu et Mc. Zerner, INTERPLAY BETWEEN GEOMETRIC AND ELECTRONIC-STRUCTURE AND THE MAGNETISM OF SMALL PD CLUSTERS, Journal of physical chemistry, 98(18), 1994, pp. 4793-4799
THEORETICAL INTERPRETATION OF THE REACTIVITY OF HIGHLY DISPERSED RH CATALYSTS TOWARD CO ADSORPTION
Authors: ESTIU GL ZERNER MC
Citation: Gl. Estiu et Mc. Zerner, THEORETICAL INTERPRETATION OF THE REACTIVITY OF HIGHLY DISPERSED RH CATALYSTS TOWARD CO ADSORPTION, Journal of physical chemistry, 97(51), 1993, pp. 13720-13729
ELECTRONIC AND GEOMETRIC CHARACTERISTICS OF PRECRYSTALLINE STRUCTURESIN HIGHLY DISPERSED RH CATALYSTS
Authors: ESTIU GL ZERNER MC
Citation: Gl. Estiu et Mc. Zerner, ELECTRONIC AND GEOMETRIC CHARACTERISTICS OF PRECRYSTALLINE STRUCTURESIN HIGHLY DISPERSED RH CATALYSTS, International journal of quantum chemistry, 1993, pp. 195-211
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