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Results:
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Results: 20
Authors:
Carvajal, A
Liu, XY
Alemany, P
Novoa, JJ
Alvarez, S
Citation: A. Carvajal et al., Ligand effects and dimer formation in dicoordinated copper(I) complexes, INT J QUANT, 86(1), 2002, pp. 100-105
Authors:
Rodriguez-Fortea, A
Alemany, P
Alvarez, S
Ruiz, E
Citation: A. Rodriguez-fortea et al., Exchange coupling in carboxylato-bridged dinuclear copper(II) compounds: Adensity functional study, CHEM-EUR J, 7(3), 2001, pp. 627-637
Authors:
Buljan, A
Llunell, M
Ruiz, E
Alemany, P
Citation: A. Buljan et al., Color and conductivity in Cu2O and CuAlO2: A theoretical analysis of d(10)center dot center dot center dot d(10) interactions in solid-state compounds, CHEM MATER, 13(2), 2001, pp. 338-344
Authors:
Ruiz, E
Rodriguez-Fortea, A
Alemany, P
Alvarez, S
Citation: E. Ruiz et al., Density functional study of the exchange coupling in distorted cubane complexes containing the Cu4O4 core, POLYHEDRON, 20(11-14), 2001, pp. 1323-1327
Authors:
Rodriguez-Fortea, A
Alemany, P
Alvarez, S
Ruiz, E
Scuiller, A
Decroix, C
Marvaud, V
Vaissermann, J
Verdaguer, M
Rosenman, I
Julve, M
Citation: A. Rodriguez-fortea et al., Exchange coupling in cyano-bridged homodinuclear Cu(II) and Ni(II) complexes: Synthesis, structure, magnetism, and density functional theoretical study, INORG CHEM, 40(23), 2001, pp. 5868-5877
Authors:
Ruiz, E
Cano, J
Alvarez, S
Alemany, P
Verdaguer, M
Citation: E. Ruiz et al., Theoretical approach to the magnetostructural correlations in the spin-Peierls compound CuGeO3, PHYS REV B, 61(1), 2000, pp. 54-57
Asymmetry and magnetism in bis(oximato)-bridged heterobimetallic compounds: A computational approach
Authors:
Cano, J
Rodriguez-Fortea, A
Alemany, P
Alvarez, S
Ruiz, E
Citation: J. Cano et al., Asymmetry and magnetism in bis(oximato)-bridged heterobimetallic compounds: A computational approach, CHEM-EUR J, 6(2), 2000, pp. 327-333
Authors:
Ruiz, E
Alemany, P
Llanos, J
Alvarez, S
Citation: E. Ruiz et al., The coloring problem in Ba2Cu3VS6, J CHEM S DA, 7, 2000, pp. 1009-1011
Authors:
Llunell, M
Alemany, P
Canadell, E
Citation: M. Llunell et al., Crystal structure and coexistence of localized and delocalized electrons in Nb12O29, J SOL ST CH, 149(1), 2000, pp. 176-179
Authors:
Palacios, AA
Aullon, G
Alemany, P
Alvarez, S
Citation: Aa. Palacios et al., Through-ring bonding in edge sharing dimers of octahedral complexes, INORG CHEM, 39(15), 2000, pp. 3166-3175
Electronic structure and bonding in CuMO2 (M = Al, Ga, Y) delafossite-typeoxides: An ab initio study
Authors:
Buljan, A
Alemany, P
Ruiz, E
Citation: A. Buljan et al., Electronic structure and bonding in CuMO2 (M = Al, Ga, Y) delafossite-typeoxides: An ab initio study, J PHYS CH B, 103(38), 1999, pp. 8060-8066
Authors:
Alemany, P
Canadell, E
Citation: P. Alemany et E. Canadell, Te...Te interlayer interactions, Te -> metal electron transfer and electrical conductivity in the MM ' Te-5 phases (M = Nb, M ' = Ni, Pd; M = Ta, M '= Ni, Pt), EUR J INORG, (10), 1999, pp. 1701-1706
Authors:
Rodriguez-Fortea, A
Alemany, P
Ziegler, T
Citation: A. Rodriguez-fortea et al., Density functional calculations of NMR chemical shifts with the inclusion of spin-orbit coupling in tungsten and lead compounds, J PHYS CH A, 103(41), 1999, pp. 8288-8294
Authors:
Fuertes, A
Vlassov, M
Beltran-Porter, D
Alemany, P
Canadell, E
Casan-Pastor, N
Palacin, MR
Citation: A. Fuertes et al., Crystal structure of the host lattices of the superconductors LixMNX (M = Zr, Hf; X = Cl, Br), CHEM MATER, 11(2), 1999, pp. 203-206
Authors:
Alemany, P
Llanos, J
Alvarez, S
Citation: P. Alemany et al., Tetrahedral d(0) and d(10) transition metal ions sharing edges in the solid state: electronic structure and bonding, J CHEM S DA, (8), 1999, pp. 1235-1240
Authors:
Cano, J
Ruiz, E
Alemany, P
Lloret, F
Alvarez, S
Citation: J. Cano et al., Theoretical study of the exchange coupling in copper(II) binuclear compounds with oxamidate and related polyatomic bridging ligands, J CHEM S DA, (10), 1999, pp. 1669-1676
Authors:
Ruiz, E
Cano, J
Alvarez, S
Alemany, P
Citation: E. Ruiz et al., Broken symmetry approach to calculation of exchange coupling constants forhomobinuclear and heterobinuclear transition metal complexes, J COMPUT CH, 20(13), 1999, pp. 1391-1400
Authors:
Palacios, AA
Alemany, P
Alvarez, S
Citation: Aa. Palacios et al., Electronic structure and bonding in tricoordinate amido complexes of transition metals, INORG CHEM, 38(4), 1999, pp. 707-715
Authors:
Vlassov, M
Palacin, MR
Beltran-Porter, D
Oro-Sole, J
Canadell, E
Alemany, P
Fuertes, A
Citation: M. Vlassov et al., Chemical transport synthesis, electrochemical behavior, and electronic structure of superconducting zirconium and hafnium nitride halides, INORG CHEM, 38(20), 1999, pp. 4530-4538
Authors:
Ruiz, E
Alvarez, S
Alemany, P
Citation: E. Ruiz et al., Theoretical search for new ferromagnetically coupled transition metal complexes, CHEM COMMUN, (24), 1998, pp. 2767-2768
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