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Results: 1-15 |
Results: 15
A PM3 THEORETICAL-STUDY OF THE ADSORPTION AND DISSOCIATION OF WATER ON MGO SURFACES
Authors: ALMEIDA AL MARTINS JBL TAFT CA LONGO E ANDRES J LIE SK
Citation: Al. Almeida et al., A PM3 THEORETICAL-STUDY OF THE ADSORPTION AND DISSOCIATION OF WATER ON MGO SURFACES, Journal of molecular structure. Theochem, 426, 1998, pp. 199-205
AB-INITIO AND SEMIEMPIRICAL STUDIES OF THE ADSORPTION AND DISSOCIATION OF WATER ON PURE, DEFECTIVE, AND DOPED MGO(001) SURFACES
Authors: ALMEIDA AL MARTINS JBL TAFT CA LONGO E LESTER WA
Citation: Al. Almeida et al., AB-INITIO AND SEMIEMPIRICAL STUDIES OF THE ADSORPTION AND DISSOCIATION OF WATER ON PURE, DEFECTIVE, AND DOPED MGO(001) SURFACES, The Journal of chemical physics, 109(9), 1998, pp. 3671-3685
CO2 AND NH3 INTERACTION WITH ZNO SURFACE - AN AM1 STUDY
Authors: MARTINS JBL LONGO E TAFT CA
Citation: Jbl. Martins et al., CO2 AND NH3 INTERACTION WITH ZNO SURFACE - AN AM1 STUDY, International journal of quantum chemistry, 70(2), 1998, pp. 367-374
THEORETICAL-STUDY OF METIAMIDE, A HISTAMINE H-2 ANTAGONIST
Authors: MARTINS JBL TAFT CA PEREZ MA STAMATO FMLG LONGO E
Citation: Jbl. Martins et al., THEORETICAL-STUDY OF METIAMIDE, A HISTAMINE H-2 ANTAGONIST, International journal of quantum chemistry, 69(1), 1998, pp. 117-128
AB-INITIO STUDY OF CO AND H-2 INTERACTION ON ZNO SURFACES USING A SMALL CLUSTER MODEL
Authors: MARTINS JBL TAFT CA LONGO E ANDRES J
Citation: Jbl. Martins et al., AB-INITIO STUDY OF CO AND H-2 INTERACTION ON ZNO SURFACES USING A SMALL CLUSTER MODEL, Journal of molecular structure. Theochem, 398, 1997, pp. 457-466
AB-INITIO AND SEMIEMPIRICAL MO STUDIES USING LARGE CLUSTER-MODELS OF CO AND H-2 ADSORPTION AND DISSOCIATION ON ZNO SURFACES WITH THE FORMATION OF ZNH AND OH SPECIES
Authors: MARTINS JBL LONGO E TAFT CA ANDRES J
Citation: Jbl. Martins et al., AB-INITIO AND SEMIEMPIRICAL MO STUDIES USING LARGE CLUSTER-MODELS OF CO AND H-2 ADSORPTION AND DISSOCIATION ON ZNO SURFACES WITH THE FORMATION OF ZNH AND OH SPECIES, Journal of molecular structure. Theochem, 397, 1997, pp. 147-157
A THEORETICAL-STUDY OF LITHIUM ION-INTERACTION WITH TIN OXIDE
Authors: SENSATO FR LONGO E BULHOES LOS SANTOS JD MARTINS JBL
Citation: Fr. Sensato et al., A THEORETICAL-STUDY OF LITHIUM ION-INTERACTION WITH TIN OXIDE, Journal of molecular structure. Theochem, 394(2-3), 1997, pp. 259-265
CO INTERACTION WITH ZNO SURFACES - AN MNDO, AM1 AND PM3 THEORETICAL-STUDY WITH LARGE CLUSTER-MODELS
Authors: MARTINS JBL LONGO E ANDRES J TAFT CA
Citation: Jbl. Martins et al., CO INTERACTION WITH ZNO SURFACES - AN MNDO, AM1 AND PM3 THEORETICAL-STUDY WITH LARGE CLUSTER-MODELS, Journal of molecular structure. Theochem, 363(2), 1996, pp. 249-256
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
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
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
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
QUANTUM-CHEMICAL STUDY OF THE ADSORPTION OF WATER ON ZINC-OXIDE SURFACE
Authors: MARTINS JBL LONGO E TOSTES JGR TAFT CA ANDRES J
Citation: Jbl. Martins et al., QUANTUM-CHEMICAL STUDY OF THE ADSORPTION OF WATER ON ZINC-OXIDE SURFACE, Journal of molecular structure. Theochem, 109, 1994, pp. 19-24
ZNO CLUSTERS MODELS - AN AM1 AND MNDO STUDY
Authors: MARTINS JBL LONGO E ANDRES J
Citation: Jbl. Martins et al., ZNO CLUSTERS MODELS - AN AM1 AND MNDO STUDY, International journal of quantum chemistry, 1993, pp. 643-653
Risultati: 1-15 |