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Results:
1-23
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Results: 23
Authors:
San Miguel, MA
Calzado, CJ
Sanz, JF
Citation: Ma. San Miguel et al., Modeling alkali atoms deposition on TiO2 (110) surface, J PHYS CH B, 105(9), 2001, pp. 1794-1798
Authors:
Hernandez, NC
Sanz, JF
Citation: Nc. Hernandez et Jf. Sanz, Molecular dynamics simulations of Pd deposition on the alpha-Al2O3 (0001) surface, J PHYS CH B, 105(48), 2001, pp. 12111-12117
Authors:
Giordano, L
Pacchioni, G
Bredow, T
Sanz, JF
Citation: L. Giordano et al., Cu, Ag, and Au atoms adsorbed on TiO2(110): cluster and periodic calculations, SURF SCI, 471(1-3), 2001, pp. 21-31
Authors:
Rabaa, H
Hoffmann, R
Hernandez, NC
Sanz, JF
Citation: H. Rabaa et al., Theoretical approach to ionic conductivity in phosphorus oxynitride compounds, J SOL ST CH, 161(1), 2001, pp. 73-79
Authors:
Oviedo, J
Sanz, JF
Lopez, N
Illas, F
Citation: J. Oviedo et al., Molecular dynamics simulations of the structure of Pd clusters deposited on the MgO(001) surface, J PHYS CH B, 104(18), 2000, pp. 4342-4348
Authors:
Sanz, JF
Hernandez, NC
Marquez, A
Citation: Jf. Sanz et al., A first principles study of Pd deposition on the TiO2(110) surface, THEOR CH AC, 104(3-4), 2000, pp. 317-322
Authors:
Paul, A
Odriozola, JA
San Miguel, MA
Sanz, JF
Alvarez, LJ
Citation: A. Paul et al., Experimental and molecular dynamics simulation analysis of lacro(3) precipitation in chromia scales, ACT MATER, 48(11), 2000, pp. 2951-2958
Authors:
Montilla, F
Hernandez, NC
del Rio, D
Sanz, JF
Pastor, A
Galindo, A
Citation: F. Montilla et al., MO rationalization of the synthesis and structure of V(N-2,6-(Pr2C6H3)-Pr-i)Cl(CO)(2)(PMe3)(2) complex, ORGANOMETAL, 19(3), 2000, pp. 304-308
Authors:
Arrazola, M
de Hevia, J
Sanz, JF
Citation: M. Arrazola et al., More on tax perception and labour supply: the Spanish case, ECON LETT, 67(1), 2000, pp. 15-21
Authors:
Marquez, A
Sanz, JF
Odriozola, JA
Citation: A. Marquez et al., Theoretical investigations of NMR chemical shieldings on the AlPON catalyst system, J NON-CRYST, 263(1-4), 2000, pp. 189-194
Authors:
Hernandez, NC
Sanz, JF
Citation: Nc. Hernandez et Jf. Sanz, Ab initio group model potentials including electron correlation effects, J CHEM PHYS, 113(15), 2000, pp. 6082-6087
Authors:
Calzado, CJ
Sanz, JF
Malrieu, JP
Citation: Cj. Calzado et al., Accurate ab initio determination of magnetic interactions and hopping integrals in La2-xSrxCuO4 systems, J CHEM PHYS, 112(11), 2000, pp. 5158-5167
Authors:
Sanz, JF
Calzado, CJ
Marquez, A
Citation: Jf. Sanz et al., DFT versus CI determination of the electron-transfer matrix element in some case examples, INT J QUANT, 76(3), 2000, pp. 458-463
Authors:
Marquez, A
Sanz, JF
Benitez, JJ
Centeno, MA
Odriozola, JA
Citation: A. Marquez et al., The short-range structure of aluminophosphate oxynitride catalysts. An ab initio and experimental study, J PHYS CH B, 103(49), 1999, pp. 10850-10857
Authors:
Calzado, CJ
San Miguel, MA
Sanz, JF
Citation: Cj. Calzado et al., Theoretical analysis of K adsorption on TiO2(110) rutile surface, J PHYS CH B, 103(3), 1999, pp. 480-486
Authors:
Sanz, JF
Oviedo, J
Marquez, A
Odriozola, JA
Montes, M
Citation: Jf. Sanz et al., Adsorption of acetone onto MgO: Experimental and theoretical evidence for the presence of a surface enolate, ANGEW CHEM, 38(4), 1999, pp. 506-509
Authors:
Yang, H
Sanz, JF
Wang, Y
Whitten, JL
Citation: H. Yang et al., Adsorption energetics of NO and CO on Pt(111), J CLUST SCI, 10(4), 1999, pp. 581-590
Authors:
Hernandez, NC
Sanz, JF
Citation: Nc. Hernandez et Jf. Sanz, Ab initio compact group model potentials for describing environment effects in cluster calculations, J COMPUT CH, 20(11), 1999, pp. 1145-1152
Authors:
San Miguel, MA
Alvarez, LJ
Sanz, JF
Odriozola, JA
Citation: Ma. San Miguel et al., Cr2O3 (0001) oxygen-terminating surface. A molecular dynamics study, THEOCHEM, 463(1-2), 1999, pp. 185-190
Authors:
Moreira, IDR
Illas, F
Calzado, CJ
Sanz, JF
Malrieu, JP
Ben Amor, N
Maynau, D
Citation: Idr. Moreira et al., Local character of magnetic coupling in ionic solids, PHYS REV B, 59(10), 1999, pp. R6593-R6596
Authors:
Montilla, F
Monge, A
Gutierrez-Puebla, E
Pastor, A
del Rio, D
Herandez, NC
Sanz, JF
Galindo, A
Citation: F. Montilla et al., Synthesis, structural characterization, and MO calculations of vanadium imido complexes containing bidentate phosphine coligands, INORG CHEM, 38(20), 1999, pp. 4462-4466
Authors:
Calzado, CJ
Sanz, JF
Malrieu, JP
Illas, F
Citation: Cj. Calzado et al., Ab initio systematic determination of the t-J effective Hamiltonian parameters for superconducting Cu-oxides, CHEM P LETT, 307(1-2), 1999, pp. 102-108
Authors:
Sanz, JF
Zicovich-Wilson, CM
Citation: Jf. Sanz et Cm. Zicovich-wilson, A periodic Hartree-Fock study of Na adsorption on the TiO2 (110) rutile surface, CHEM P LETT, 303(1-2), 1999, pp. 111-116
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