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Results: 1-20 |
Results: 20

Authors: ROSALES M BOVES M SOSCUN H RUETTE F
Citation: M. Rosales et al., THE MECHANISM OF THE REGIOSELECTIVE REDUCTION OF QUINOLINE CATALYZED BY [RUH(CO)(NCME)(2)(PR3)2]BF4 - A THEORETICAL INVESTIGATION, Journal of molecular structure. Theochem, 433, 1998, pp. 319-328

Authors: SIERRAALTA A RUETTE F MACHADO E MACHADO E
Citation: A. Sierraalta et al., TOPOLOGY OF ELECTRONIC DENSITIES TAKEN FROM PARAMETRIC METHODS - A PREDICTIVE TOOL, International journal of quantum chemistry, 70(1), 1998, pp. 113-123

Authors: RUETTE F POVEDA FM SIERRAALTA A SANCHEZ M RODRIGUEZARIAS EN
Citation: F. Ruette et al., MODEL PARAMETRIC HAMILTONIANS AND BONDING THEORETICAL TOOLS IN SIMULATION OF CATALYTIC REACTION STEPS - HYDROTREATMENT OF OIL COMPONENTS, Journal of molecular catalysis. A, Chemical, 119(1-3), 1997, pp. 335-348

Authors: BENZO Z GARABOTO A RUETTE F QUINTAL M LEON V
Citation: Z. Benzo et al., INVESTIGATION OF THE INTERACTION OF MOLYBDENUM WITH A GRAPHITE SURFACE BY ELECTROTHERMAL ATOMIZATION ATOMIC-ABSORPTION SPECTROSCOPY AND SCANNING-TUNNELING-MICROSCOPY, Spectrochimica acta, Part B: Atomic spectroscopy, 52(9-10), 1997, pp. 1305-1320

Authors: SIERRAALTA A RUETTE F
Citation: A. Sierraalta et F. Ruette, H-2 INTERACTION WITH S ATOMS OF A MOS2 MODELED CATALYTIC SITE - ELECTRONIC DENSITY ANALYSIS FOR S-H FORMATION, Journal of molecular catalysis. A, Chemical, 109(3), 1996, pp. 227-238

Authors: POVEDA FM SIERRAALTA A VILLAVECES JL RUETTE F
Citation: Fm. Poveda et al., MODELING CARBON CHEMISORPTION ON A NICKEL-CATALYST - MINDO SR SEMIEMPIRICAL CALCULATIONS/, Journal of molecular catalysis. A, Chemical, 106(1-2), 1996, pp. 109-118

Authors: BENZO Z MONTERO T QUINTAL M SIERRAALTA A RUETTE F
Citation: Z. Benzo et al., ATOMIZATION OF VANADIUM IN A GRAPHITE-FURNACE - EXPERIMENTAL AND THEORETICAL MODELING OF SURFACE INTERACTIONS, Journal of analytical atomic spectrometry, 11(6), 1996, pp. 445-452

Authors: RUETTE F POVEDA FM SIERRAALTA A RIVERO J
Citation: F. Ruette et al., A THEORETICAL TOOL FOR THE ANALYSIS OF ADSORBATE-SURFACE BOND INTERACTIONS, Surface science, 349(2), 1996, pp. 241-247

Authors: SIERRAALTA A RUETTE F
Citation: A. Sierraalta et F. Ruette, THE LAPLACIAN OF THE ELECTRONIC DENSITY AT THE VALENCE-SHELL CHARGE CONCENTRATION (VSCC) - A COMPARATIVE-STUDY OF EFFECTIVE CORE POTENTIAL AND FULL-ELECTRON CALCULATIONS IN MO COMPOUNDS .2., International journal of quantum chemistry, 60(5), 1996, pp. 1015-1026

Authors: RODRIGUEZARIAS EN GAINZA AE HERNANDEZ AJ LOBOS PS RUETTE F
Citation: En. Rodriguezarias et al., PYRIDINE INTERACTION WITH A PARTIALLY HYDROGENATED MOS2 MODELED SURFACE - A MOLECULAR-ORBITAL STUDY, Journal of molecular catalysis. A, Chemical, 102(3), 1995, pp. 163-174

Authors: SIERRAALTA A RUETTE F
Citation: A. Sierraalta et F. Ruette, A COMPARATIVE-STUDY OF EFFECTIVE CORE POTENTIAL AND FULL-ELECTRON CALCULATIONS IN MO COMPOUNDS .1. AN ANALYSIS OF TOPOLOGICAL PROPERTIES OFBOND CHARGE-DISTRIBUTION, Journal of computational chemistry, 15(3), 1994, pp. 313-321

Authors: RODRIGUEZ J RUETTE F LAINE J
Citation: J. Rodriguez et al., MOLECULAR MODELING OF MICROPORES IN ACTIVATED CARBON, Carbon, 32(8), 1994, pp. 1536-1537

Authors: ARAY Y RODRIGUEZ J MURGICH J RUETTE F
Citation: Y. Aray et al., MCSCF-CAS CALCULATION OF THE CHARGE TOPOLOGY OF MODEL OXYGEN-ADSORPTION SITES IN MGO AND LIO, Journal of physics. Condensed matter, 5, 1993, pp. 211-212

Authors: POVEDA FM SANCHEZ M RUETTE F
Citation: Fm. Poveda et al., MINDO SR CALCULATIONS FOR ADSORPTION OF HYDROCARBON FRAGMENTS CHN(N =1,2,3) ON AN NI14 CLUSTER/, Journal of physics. Condensed matter, 5, 1993, pp. 237-238

Authors: GAINZA AE RODRIGUEZARIAS EN RUETTE F
Citation: Ae. Gainza et al., PYRIDINE ADSORPTION ON A MOS2 MODELED SURFACE (MO3S8) - A CNDO MOLECULAR-ORBITAL STUDY, Journal of molecular catalysis, 85(3), 1993, pp. 345-359

Authors: URBINAVILLALBA G RUETTE F
Citation: G. Urbinavillalba et F. Ruette, SEMIEMPIRICAL STUDY OF CARBON-MONOXIDE, OXYGEN AND CARBON ADSORPTION ON A MODELED COSI(100) SURFACE, Journal of molecular catalysis, 80(3), 1993, pp. 307-326

Authors: RODRIGUEZ LJ RUETTE F
Citation: Lj. Rodriguez et F. Ruette, SEMIEMPIRICAL MOLECULAR-ORBITAL THEORY - PARAMETERIZATION OF THE MINDO SR METHOD FOR THE FIRST TRANSITION-METAL SERIES/, Journal of molecular structure. Theochem, 106, 1993, pp. 179-184

Authors: FROMHERZ T MENDOZA C RUETTE F
Citation: T. Fromherz et al., CHEMISORPTION OF ATOMIC H, C, N AND O ON A CLUSTER-MODEL GRAPHITE SURFACE, Monthly Notices of the Royal Astronomical Society, 263(4), 1993, pp. 851-860

Authors: ARAY Y RODRIGUEZ J MURGICH J RUETTE F
Citation: Y. Aray et al., MO AB-INITIO MCSCF CALCULATION OF THE CHARGE TOPOLOGY IN THE H-ABSTRACTION FROM CH4 BY MGO AND LIO MOLECULES, Journal of physical chemistry, 97(32), 1993, pp. 8393-8398

Authors: RUETTE F SIERRAALTA A CASTELLS V LAYA M
Citation: F. Ruette et al., CHEMISTRY OF CARBONIZATION .1. A THEORETICAL-STUDY OF FREE-RADICAL FORMATION FROM STARTING MATERIALS, Carbon, 31(4), 1993, pp. 645-650
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