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Results: 51-75/104
THEORETICAL-STUDY OF THE SOLVENT EFFECTS ON THE MECHANISMS OF ADDITION OF DIMETHYL ACETYLENEDICARBOXYLATE TO 1-METHYL-2-VINYLPYRROLE
Authors: DOMINGO LR PICHER MT ANDRES J MOLINER V SAFONT VS
Citation: Lr. Domingo et al., THEORETICAL-STUDY OF THE SOLVENT EFFECTS ON THE MECHANISMS OF ADDITION OF DIMETHYL ACETYLENEDICARBOXYLATE TO 1-METHYL-2-VINYLPYRROLE, Tetrahedron, 52(32), 1996, pp. 10693-10704
MAGNETIC-BEHAVIOR OF FE IMPURITIES IN TC AND RE, AND ITS RELEVANCE TOTHE GENERAL PROBLEM OF THE MAGNETISM OF FE IN D-BAND METAL HOSTS
Authors: KAPOOR J ANDRES J MEZEI F LI Y POLACZYK C RIEGEL D BREWER WD BECK E LEGOAS SB FROTAPESSOA S
Citation: J. Kapoor et al., MAGNETIC-BEHAVIOR OF FE IMPURITIES IN TC AND RE, AND ITS RELEVANCE TOTHE GENERAL PROBLEM OF THE MAGNETISM OF FE IN D-BAND METAL HOSTS, Physical review letters, 77(13), 1996, pp. 2806-2809
OBSERVATION OF MAGNETISM AND KONDO EFFECT FOR SC IONS IN METALLIC HOSTS
Authors: KAPOOR J ANDRES J LI Y METZ A POLACZYK C RIEGEL D BREWER WD
Citation: J. Kapoor et al., OBSERVATION OF MAGNETISM AND KONDO EFFECT FOR SC IONS IN METALLIC HOSTS, Physical review letters, 76(9), 1996, pp. 1537-1540
UNIMOLECULAR DECOMPOSITION OF THE ANIONIC FORM OF N-CHLORO-ALPHA-GLYCINE - A THEORETICAL-STUDY
Authors: ANDRES J QUERALT JJ SAFONT VS CANLE M SANTABALLA JA
Citation: J. Andres et al., UNIMOLECULAR DECOMPOSITION OF THE ANIONIC FORM OF N-CHLORO-ALPHA-GLYCINE - A THEORETICAL-STUDY, Journal of physical chemistry, 100(9), 1996, pp. 3561-3568
INACTIVATION OF RIBULOSE-1,5-BISPHOSPHATE CARBOXYLASE OXYGENASE DURING CATALYSIS - A THEORETICAL-STUDY OF RELATED TRANSITION STRUCTURES/
Authors: TAPIA O ANDRES J SAFONT VS
Citation: O. Tapia et al., INACTIVATION OF RIBULOSE-1,5-BISPHOSPHATE CARBOXYLASE OXYGENASE DURING CATALYSIS - A THEORETICAL-STUDY OF RELATED TRANSITION STRUCTURES/, Journal of physical chemistry, 100(20), 1996, pp. 8543-8550
ON TRANSITION STRUCTURES FOR HYDRIDE TRANSFER STEP IN ENZYME CATALYSIS - A COMPARATIVE-STUDY ON MODELS OF GLUTATHIONE-REDUCTASE DERIVED FROM SEMIEMPIRICAL, HF, AND DFT METHODS
Authors: ANDRES J MOLINER V SAFONT VS DOMINGO LR PICHER MT
Citation: J. Andres et al., ON TRANSITION STRUCTURES FOR HYDRIDE TRANSFER STEP IN ENZYME CATALYSIS - A COMPARATIVE-STUDY ON MODELS OF GLUTATHIONE-REDUCTASE DERIVED FROM SEMIEMPIRICAL, HF, AND DFT METHODS, Journal of organic chemistry, 61(22), 1996, pp. 7777-7783
A THEORETICAL-STUDY OF ADDITION OF ORGANOMAGNESIUM REAGENTS TO CHIRALALPHA-ALKOXY CARBONYL-COMPOUNDS
Authors: SAFONT VS MOLINER V OLIVA M CASTILLO R ANDRES J GONZALEZ F CARDA M
Citation: Vs. Safont et al., A THEORETICAL-STUDY OF ADDITION OF ORGANOMAGNESIUM REAGENTS TO CHIRALALPHA-ALKOXY CARBONYL-COMPOUNDS, Journal of organic chemistry, 61(10), 1996, pp. 3467-3475
EXISTENCE, UNIQUENESS, AND INSTABILITY OF LARGE-PERIOD HARMONICS TO THE 3RD-ORDER NONLINEAR ORDINARY DIFFERENTIAL-EQUATIONS
Authors: ANDRES J
Citation: J. Andres, EXISTENCE, UNIQUENESS, AND INSTABILITY OF LARGE-PERIOD HARMONICS TO THE 3RD-ORDER NONLINEAR ORDINARY DIFFERENTIAL-EQUATIONS, Journal of mathematical analysis and applications, 199(2), 1996, pp. 445-457
H2O AND H-2 INTERACTION WITH ZNO SURFACES - A MNDO, AM1, AND PM3 THEORETICAL-STUDY WITH LARGE CLUSTER-MODELS
Authors: MARTINS JBL ANDRES J LONGO E TAFT CA
Citation: Jbl. Martins et al., H2O AND H-2 INTERACTION WITH ZNO SURFACES - A MNDO, AM1, AND PM3 THEORETICAL-STUDY WITH LARGE CLUSTER-MODELS, International journal of quantum chemistry, 57(5), 1996, pp. 861-870
ON A POSSIBLE INVARIANCE OF A TRANSITION STRUCTURE TO THE EFFECTS PRODUCED BY ANCILLARY H-BONDING MOLECULES - MODELING THE EFFECTS OF SER-48 IN THE HYDRIDE-TRANSFER STEP OF LIVER ALCOHOL-DEHYDROGENASE
Authors: CARDENAS R ANDRES J KRECHI J CAMPILLO M TAPIA O
Citation: R. Cardenas et al., ON A POSSIBLE INVARIANCE OF A TRANSITION STRUCTURE TO THE EFFECTS PRODUCED BY ANCILLARY H-BONDING MOLECULES - MODELING THE EFFECTS OF SER-48 IN THE HYDRIDE-TRANSFER STEP OF LIVER ALCOHOL-DEHYDROGENASE, International journal of quantum chemistry, 57(2), 1996, pp. 245-257
MACROECONOMIC PERFORMANCE AND CONVERGENCE IN OECD COUNTRIES
Authors: ANDRES J DOMENECH R MOLINAS C
Citation: J. Andres et al., MACROECONOMIC PERFORMANCE AND CONVERGENCE IN OECD COUNTRIES, European economic review, 40(9), 1996, pp. 1683-1704
DEVELOPMENT OF SLEEP-WAKEFULNESS RHYTHM IN PREMATURE BABIES
Authors: ARDURA J ANDRES J ALDANA J REVILLA MA
Citation: J. Ardura et al., DEVELOPMENT OF SLEEP-WAKEFULNESS RHYTHM IN PREMATURE BABIES, Acta paediatrica, 84(5), 1995, pp. 484-489
TRANSITION-STATE STRUCTURES FOR THE MOLECULAR MECHANISM OF LACTATE-DEHYDROGENASE ENZYME
Authors: ANDRES J MOLINER V KRECHL J SILLA E
Citation: J. Andres et al., TRANSITION-STATE STRUCTURES FOR THE MOLECULAR MECHANISM OF LACTATE-DEHYDROGENASE ENZYME, Perkin transactions. 2, (7), 1995, pp. 1551-1558
CARDIAC GENE-EXPRESSION FOLLOWING SHORT C ORONARY OCCLUSIONS
Authors: ZIMMERMANN R ANDRES J BRAND T FRASS O KLUGE A KNOLL R VOGT A SCHAPER W
Citation: R. Zimmermann et al., CARDIAC GENE-EXPRESSION FOLLOWING SHORT C ORONARY OCCLUSIONS, Zeitschrift fur Kardiologie, 84, 1995, pp. 159-165
TRANSITION STRUCTURES IN VACUO AND THE THEORY OF ENZYME CATALYSIS - RUBISCOS CATALYTIC MECHANISM - A PARADIGMATIC CASE
Authors: TAPIA O ANDRES J SAFONT VS
Citation: O. Tapia et al., TRANSITION STRUCTURES IN VACUO AND THE THEORY OF ENZYME CATALYSIS - RUBISCOS CATALYTIC MECHANISM - A PARADIGMATIC CASE, Journal of molecular structure. Theochem, 342, 1995, pp. 131-140
THEORETICAL-STUDY OF CLUSTER-MODELS AND MOLECULAR-HYDROGEN INTERACTION WITH SNO2[110] SURFACE
Authors: MARTINS JBL LONGO E ANDRES J TAFT CA
Citation: Jbl. Martins et al., THEORETICAL-STUDY OF CLUSTER-MODELS AND MOLECULAR-HYDROGEN INTERACTION WITH SNO2[110] SURFACE, Journal of molecular structure. Theochem, 335, 1995, pp. 167-174
ON A QUANTUM-THEORY OF CHEMICAL-REACTIONS AND THE ROLE OF IN VACUUM TRANSITION STRUCTURES - PRIMARY AND SECONDARY SOURCES OF ENZYME CATALYSIS
Authors: TAPIA O ANDRES J
Citation: O. Tapia et J. Andres, ON A QUANTUM-THEORY OF CHEMICAL-REACTIONS AND THE ROLE OF IN VACUUM TRANSITION STRUCTURES - PRIMARY AND SECONDARY SOURCES OF ENZYME CATALYSIS, Journal of molecular structure. Theochem, 335, 1995, pp. 267-286
A THEORETICAL-STUDY OF (10(1)OVER-BAR-0) AND (0001) ZNO SURFACES - MOLECULAR CLUSTER MODEL, BASIS-SET AND EFFECTIVE CORE POTENTIAL DEPENDENCE
Authors: MARTINS JBL ANDRES J LONGO E TAFT CA
Citation: Jbl. Martins et al., A THEORETICAL-STUDY OF (10(1)OVER-BAR-0) AND (0001) ZNO SURFACES - MOLECULAR CLUSTER MODEL, BASIS-SET AND EFFECTIVE CORE POTENTIAL DEPENDENCE, Journal of molecular structure. Theochem, 330, 1995, pp. 301-306
IONIC STRUCTURES AS INTERCALATION COMPOUND HOST LATTICES - AN AB-INITIO PERTURBED ION STUDY ON LATTICE STRETCHING
Authors: ANDRES J BELTRAN A IGUALADA JA LLUSAR R MOLINER V
Citation: J. Andres et al., IONIC STRUCTURES AS INTERCALATION COMPOUND HOST LATTICES - AN AB-INITIO PERTURBED ION STUDY ON LATTICE STRETCHING, Journal of molecular structure. Theochem, 330, 1995, pp. 313-317
AB-INITIO PERTURBED ION CALCULATIONS ON NI2-DOT-KZNF3 AND NI2+CENTER-DOT-KMGF3 - A STRUCTURAL STUDY(CENTER)
Authors: ANDRES J BELTRAN A IGUALADA JA LLUSAR R MOLINER V
Citation: J. Andres et al., AB-INITIO PERTURBED ION CALCULATIONS ON NI2-DOT-KZNF3 AND NI2+CENTER-DOT-KMGF3 - A STRUCTURAL STUDY(CENTER), Journal of molecular structure. Theochem, 330, 1995, pp. 319-323
A THEORETICAL-STUDY OF WATER-ADSORPTION ON (10(1)OVER-BAR-0) AND (0001) ZNO SURFACES - MOLECULAR CLUSTER, BASIS-SET AND EFFECTIVE CORE POTENTIAL DEPENDENCE
Authors: MARTINS JBL MOLINER V ANDRES J LONGO E TAFT CA
Citation: Jbl. Martins et al., A THEORETICAL-STUDY OF WATER-ADSORPTION ON (10(1)OVER-BAR-0) AND (0001) ZNO SURFACES - MOLECULAR CLUSTER, BASIS-SET AND EFFECTIVE CORE POTENTIAL DEPENDENCE, Journal of molecular structure. Theochem, 330, 1995, pp. 347-351
AM1 AND PM3 TRANSITION STRUCTURE FOR THE HYDRIDE TRANSFER - A MODEL OF REACTION CATALYZED BY DIHYDROFOLATE-REDUCTASE
Authors: ANDRES J SAFONT VS MARTINS JBL BELTRAN A MOLINER V
Citation: J. Andres et al., AM1 AND PM3 TRANSITION STRUCTURE FOR THE HYDRIDE TRANSFER - A MODEL OF REACTION CATALYZED BY DIHYDROFOLATE-REDUCTASE, Journal of molecular structure. Theochem, 330, 1995, pp. 411-416
AN AB-INITIO PERTURBED ION STUDY OF PYROPE GARNET STRUCTURE
Authors: ANDRES J BELTRAN A IGUALADA JA
Citation: J. Andres et al., AN AB-INITIO PERTURBED ION STUDY OF PYROPE GARNET STRUCTURE, Journal of physics and chemistry of solids, 56(7), 1995, pp. 901-906
PSEUDOPOTENTIAL PERIODIC HARTREE-FOCK STUDY OF K8IN11 AND RB8IN11 SYSTEMS
Authors: LLUSAR R BELTRAN A ANDRES J SILVI B SAVIN A
Citation: R. Llusar et al., PSEUDOPOTENTIAL PERIODIC HARTREE-FOCK STUDY OF K8IN11 AND RB8IN11 SYSTEMS, Journal of physical chemistry, 99(33), 1995, pp. 12483-12487
AN AB-INITIO PERTURBED ION STUDY OF THE BALIF3 AND BALIH3 INVERTED PEROVSKITE STRUCTURES
Authors: ANDRES J BELTRAN A
Citation: J. Andres et A. Beltran, AN AB-INITIO PERTURBED ION STUDY OF THE BALIF3 AND BALIH3 INVERTED PEROVSKITE STRUCTURES, Journal of physical chemistry, 99(20), 1995, pp. 8082-8090
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