2005
| E. Ruiz, J. Cano and S. Alvarez, «An Fe11 complex showing single-molecule magnet behavior: Theoretical study using density functional methods and Monte Carlo simulations», Polyhedron 2005, 24, 2364-2367. |
| I. Angurell, O. Rossell, M. Seco and E. Ruiz, «Dendrimers containing two metallic layers. Chloride migration from peripheral gold, palladium, or rhodium metals to internal ruthenium atoms», Organometallics 2005, 24, 6365-6373. |
| E. Ruiz, J. Cirera and S. Alvarez, «Spin density distribution in transition metal complexes», Coord. Chem. Rev. 2005, 249, 2649-2660. |
| E. Ruiz, J. Cano and S. Alvarez, «An FeII complex showing single-molecule magnet behavior: Theoretical study using density functional methods and Monte Carlo simulations», Polyhedron 2005, 24, 2364-2367. |
| M. Gomez, S. Jansat, G. Muller, G. Aullon and M. A. Maestro, «Ruthenium complexes containing chiral N-donor ligands as catalysts in acetophenone hydrogen transfer – New amino effect on enantioselectivity», Eur. J. Inorg. Chem. 2005, 4341-4351. |
| G. Rajaraman, E. Ruiz, J. Cano and S. Alvarez, «Theoretical determination of the exchange coupling constants of a single-molecule magnet Fe10 complex», Chem. Phys. Lett. 2005, 415, 6-9. |
| E. Ruiz, S. Alvarez, J. Cano and V. Polo, «About the calculation of exchange coupling constants using density-functional theory: The role of the self-interaction error», J. Chem. Phys. 2005, 123, 164110. |
| E. C. Brown, J. T. York, W. E. Antholine, E. Ruiz, S. Alvarez and W. B. Tolman, «[Cu3(μ-S)2]3+ clusters supported by N-donor ligands: Progress toward a synthetic model of the catalytic site of nitrous oxide reductase», J. Am. Chem. Soc. 2005, 127, 13752-13753. |
| A. Figuerola, J. Ribas, M. Llunell, D. Casanova, M. Maestro, S. Alvarez and C. Diaz, «Magnetic properties of cyano-bridged Ln3+-M3+ complexes. Part I: Trinuclear complexes (Ln3+ = La, Ce, Pr, Nd, Sm; M3+ = Fe-LS, Co) with bpy as blocking ligand», Inorg. Chem. 2005, 44, 6939-6948. |
| A. Figuerola, J. Ribas, D. Casanova, M. Maestro, S. Alvarez and C. Diaz, «Magnetism of cyano-bridged Ln3+-M3+ complexes. Part II: One-dimensional complexes (Ln3+ = Eu, Tb, Dy, Ho, Er, Tm; M3+ = Fe or Co) with bpy as blocking ligand», Inorg. Chem. 2005, 44, 6949-6958. |
| S. Alvarez, P. Alemany, D. Casanova, J. Cirera, M. Llunell, D. Avnir. «Shape Maps and Polyhedral Interconversion Paths in Transition Metal Chemistry». Coord. Chem. Rev. 2005, 249, 1693-1708. |
| E. Ruiz, A. Rodriguez-Fortea, J. Tercero, T. Cauchy and C. Massobrio, «Exchange coupling in transition-metal complexes via density-functional theory: Comparison and reliability of different basis set approaches», J. Chem. Phys. 2005, 123, |
| E. Ruiz, J. Cano and S. Alvarez, «Density functional study of exchange coupling constants in single-molecule magnets: The Fe8 complex», Chem. Eur. J. 2005, 11, 4767-4771. |
| S. Triki, C. J. Gomez-Garcia, E. Ruiz and J. Sala-Pala, «Asymmetric azido-copper(II) bridges: Ferro- or antiferromagnetic? Experimental and theoretical magneto-structural studies», Inorg. Chem. 2005, 44, 5501-5508. |
| M. Fondo, A. M. Garcia-Deibe, M. Corbella, E. Ruiz, J. Tercero, J. Sanmartin and M. R. Bermejo, «Unexpected ferromagnetic interaction in a new tetranuclear copper(II) complex: Synthesis, crystal structure, magnetic properties, and theoretical studies», Inorg. Chem. 2005, 44, 5011-5020. |
| S. Willemin, J. Larionova, H. Bolvin, B. Donnadieu, X. F. Le Goff, E. Ruiz, C. Guerin and B. Henner, «Cation templation of Mn2+/[Mo(CN)(7)](4-) system: Formation of pseudo-dimorphs (NH4)(2)Mn-3(H2O)(4)[Mo(CN)(7)](2) center dot nH(2)O(n=4, 5)», Polyhedron 2005, 24, 1033-1046. |
| E. Ruiz and S. Alvarez, «Theoretical study of the magnetic behavior of ferric wheels», ChemPhysChem 2005, 6, 1094-1099. |
| J. Cirera, E. Ruiz, S. Alvarez. «Continuous Shape Measures as a Stereochemical Tool in Organometallic Chemistry». Organometallics 2005, 24, 1556-1562. |
| E. Ruiz, A. Rodriguez-Fortea, S. Alvarez and M. Verdaguer, «Is it possible to get high Tc magnets with Prussian blue analogues? A theoretical prospect», Chem. Eur. J. 2005, 11, 2135-2144. |
| D. Casanova, M. Llunell, P. Alemany, S. Alvarez. «The Rich Stereochemistry of Eight-Vertex Polyhedra in Chemistry. A Continuous Shape Measures Study». Chem. Eur. J. 2005, 11, 1479-1494 |
| P. Alemany, M. Llunell and E. Canadell, «Electronic structure of Li2Ga and Li9Al4, two solids containing infinite and uniform zigzag chains», Inorg. Chem. 2005, 44, 374-381. |
| E. Ruiz, G. Rajaraman, S. Alvarez, B. Gillon, J. Stride, R. Clerac, J. Larionova and S. Decurtins, «Symmetry and topology determine the MoV-CN-MnII exchange interactions in high-spin molecules», Angew. Chem. Int. Ed. 2005, 44, 2711-2715. |
| S. Alvarez, P. Alemany, D. Avnir. «Continuous Chirality Measures in Transition Metal Chemistry». Chem. Soc. Rev.2005, 34, 313-326. |
| A. Escuer, V. Mc Kee, J. Nelson, E. Ruiz, N. Sanz and R. Vicente, «Ferromagnetic interaction in μ1,3-cyanamido-derived copper(II) cryptates», Chem. Eur. J. 2005, 11, 398-405. |
| S. Alvarez. «Polyhedra in (Inorganic) Chemistry». Dalton Trans. 2005, 2209-2233. |
| A. Rodriguez-Fortea, E. Ruiz, S. Alvarez and P. Alemany, «Exchange coupling in μ-aqua:μ-oxo vs. di-μ-hydroxo dinuclear Cu(II) compounds: a density functional study», Dalton Trans. 2005, 2624-2629. |
| S. Alvarez, G. Aullon, R. Fandos, J. L. G. Fierro, P. Ocon, A. Otero, S. Rojas and P. Terreros, «A pyrimidine thiolate Rh(I) complex: structure, bonding and one-dimensional interactions in solid and in solution», Dalton Trans. 2005, 938-944. |
2004
| G. Aullon and S. Alvarez, «Formation of sulfur-sulfur bonds in copper complexes», Eur. J. Inorg. Chem. 2004, 4430-4438. |
| G. Aullon, G. Esquius, A. Lledos, F. Maseras, J. Pons and J. Ros, «Unexpected influence of the counteranion in the κ2 vs κ3 hapticity of polydentate N-donor ligands in [RhI(N-ligand)L2]+ complexes», Organometallics 2004, 23, 5530-5539. |
| G. Aullon, M. Hamidi, A. Lledos and S. Alvarez, «Chalcogen-chalcogen bonds in edge-sharing square-planar d8 complexes. Are they possible?» Inorg. Chem. 2004, 43, 3702-3714. |
| E. C. Brown, N. W. Aboelella, A. M. Reynolds, G. Aullon, S. Alvarez and W. B. Tolman, «A new class of (μ-η2:η2-disulfido)dicopper complexes: Synthesis characterization and disulfido exchange», Inorg. Chem. 2004, 43, 3335-3337. |
| M. A. Carvajal, S. Alvarez and J. J. Novoa, «The nature of intermolecular CuI···CuI interactions: A combined theoretical and structural database analysis», Chem. Eur. J.2004, 10, 2117-2132. |
| X. Ribas, J. C. Dias, J. Morgado, K. Wurst, E. Molins, E. Ruiz, M. Almeida, J. Veciana and C. Rovira, «Novel Cu(III) bis-1,2-dichalcogenene complexes with tunable 3D framework through alkaline cation coordination: A structural and theoretical study», Chem. Eur. J. 2004, 10, 1691-1704. |
| E. Ruiz, A. Rodriguez-Fortea, J. Cano and S. Alvarez, «Theoretical study of exchange coupling constants in an Fe19 complex», J. Phys. Chem. Solids 2004, 65, 799-803. |
| D. Casanova, J. Cirera, M. Llunell, P. Alemany, D. Avnir, S. Alvarez. «Minimal Distortion Pathways in Polyhedral Rearrangements». J. Am. Chem. Soc. 2004, 126, 1755-1763 |
| M. A. Carvajal, J. J. Novoa and S. Alvarez, «Choice of coordination number in d10 complexes of group 11 metals», J. Am. Chem. Soc. 2004, 126, 1465-1477. |
| J. Cirera, P. Alemany, S. Alvarez. «Mapping the Stereochemistry and Symmetry of Tetracoordinate Transition Metal Complexes». Chem. Eur. J. 2004, 10, 190-207. |
| A. Rodriguez-Fortea, P. Alemany, S. Alvarez and E. Ruiz, «A theoretical study of the exchange coupling in hydroxo- and alkoxo-bridged dinuclear oxovanadium(IV) compounds», Eur. J. Inorg. Chem. 2004, 143-153. |
| E. Ruiz, «Theoretical study of the exchange coupling in large polynuclear transition metal complexes using DFT methods», Principles and Applications of Density in Inorganic Chemistry II 2004, 113, 71-102. |
2003
| S. Alvarez. «Poliedros y sus distorsiones en la descripción de la estructura molecular y en el diseño de edificios supramoleculares». An. Real Soc. Esp. Quím. 2003, 99, 29-44. |
| S. Alvarez, S. Schefzick, D. Avnir, K. Lipkowitz. «Quantitative Chirality Analysis of Molecular Sub-units of Bis(oxazoline)copper(II) Complexes in Relation to their Enantioselective Catalytic Activity». Chem. Eur. J. 2003, 9, 5832-5837. |
| E. Ruiz, M. Llunell and P. Alemany, «Calculation of exchange coupling constants in solid state transition metal compounds using localized atomic orbital basis sets», J. Solid State Chem. 2003, 176, 400-411. |
| R. Mas-Balleste, G. Aullon, P. A. Champkin, W. Clegg, C. Megret, P. Gonzalez-Duarte and A. Lledos, «The evolution of [{Ph2P(CH2)nPPh2}Pt(μ-S)2Pt{Ph2P(CH2)nPPh2}] (n = 2, 3) metalloligands in protic acids: A cascade of sequential reactions», Chem. Eur. J. 2003, 9, 5023-5035. |
| M. Ferrer, M. Mounir, O. Rossell, E. Ruiz and M. A. Maestro, «Equilibria between metallosupramolecular squares and triangles with the new rigid linker 1,4-bis(4-pyridyl)tetrafluorobenzene. Experimental and theoretical study of the structural dependence of NMR data», Inorg. Chem. 2003, 42, 5890-5899. |
| E. Ruiz, A. Rodriguez-Fortea and S. Alvarez, «Tailor-made strong exchange magnetic coupling through very long bridging ligands: Theoretical predictions», Inorg. Chem.2003, 42, 4881-4884. |
| E. Ruiz, J. Cano, S. Alvarez, A. Caneschi and D. Gatteschi, «Theoretical study of the magnetic behavior of hexanuclear Cu(II) and Ni(II) polysiloxanolato complexes», J. Am. Chem. Soc. 2003, 125, 6791-6794. |
| S. Alvarez. «Relationships Between Temperature, Magnetic Moment and Continuous Symmetry Measures in Spin Crossover Complexes». J. Am. Chem. Soc., 2003, 125, 6795-6802 |
| E. Ruiz, A. Rodriguez-Fortea, J. Cano, S. Alvarez and P. Alemany, «About the calculation of exchange coupling constants in polynuclear transition metal complexes», Journal of Computational Chemistry 2003, 24, 982-989. |
| J. Tercero, C. Diaz, J. Ribas, M. Maestro, J. Mahia and H. Stoeckli-Evans, «Oxamato-bridged trinuclear NiIICuIINiII complexes: A new (NiIICuIINiII)2 hexanuclear complex and supramolecular structures. Characterization and magnetic properties», Inorg. Chem. 2003, 42, 3366-3373. |
| P. Alemany, S. Alvarez, D. Avnir. «Theoretical Evidence of Persistent Chirality in D3 Homoleptic Hexacoordinated Complexes with Monodentate Ligands». Chem. Eur. J.2003, 9, 1952-1957. |
| C. Desplanches, E. Ruiz and S. Alvarez, «Exchange coupling in metal complexes of the second transition series: A theoretical exploration», Eur. J. Inorg. Chem. 2003, 1756-1760. |
| D. Casanova, P. Alemany, J. M. Bofill, S. Alvarez. «Shape and Symmetry of Heptacoordinated Transition Metals: Structural Trends». Chem. Eur. J., 2003, 9, 1281-1295 |
| Z. Q. Xu, L. K. Thompson, D. O. Miller, E. Ruiz and S. Alvarez, «A novel hexanuclear mixed oxidation state (CuII4CuI2) cluster complex exhibiting weak ferromagnetic exchange», Inorg. Chem. 2003, 42, 1107-1111. |
| A. Rodriguez-Fortea, E. Ruiz, P. Alemany and S. Alvarez, «Magneto-structural correlations in trinuclear Cu(II) complexes: A density functional study», Monatsh. Chem.2003, 134, 307-316. |
| C. Massobrio and E. Ruiz, «Localized orbitals vs. pseudopotential-plane waves basis sets: Performances and accuracy for molecular magnetic systems», Monatsh. Chem.2003, 134, 317-326. |
| S. Alvarez, D. Avnir. «Continuous Chirality Measures of Tetracoordinate Bis-chelate Metal Complexes». Dalton Trans., 2003, 562-569. |
2002
| E. M. Tejada-Rosales, J. Rodriguez-Carvajal, N. Casan-Pastor, P. Alemany, E. Ruiz, M. S. El-Fallah, S. Alvarez and P. Gomez-Romero, «Room-temperature synthesis and crystal, magnetic, and electronic structure of the first silver copper oxide», Inorg. Chem. 2002, 41, 6604-6613. |
| J. Tercero, C. Diaz, J. Ribas, E. Ruiz, J. Mahia and M. Maestro, «New oxamidato-bridged CuII-NiII complexes: Supramolecular structures with thiocyanate Ligands and hydrogen bonds. Magnetostructural studies: DFT calculations», Inorg. Chem. 2002, 41, 6780-6789. |
| B. Gillon, C. Mathoniere, E. Ruiz, S. Alvarez, A. Cousson, T. M. Rajendiran and O. Kahn, «Spin densities in a ferromagnetic bimetallic chain compound: Polarized neutron diffraction and DFT calculations», J. Am. Chem. Soc. 2002, 124, 14433-14441. |
| C. Desplanches, E. Ruiz and S. Alvarez, «Early-late transition metal ferromagnetic coupling mediated by hydrogen bonding», Chem. Commun. 2002, 2614-2615. |
| J. Tercero, C. Diaz, J. Ribas, J. Mahia and M. A. Maestro, «New oxamato-bridged trinuclear CuII-CuII-CuII complexes with hydrogen-bond supramolecular structures: Synthesis and magneto-structural studies», Inorg. Chem. 2002, 41, 5373-5381. |
| F. F. de Biani, M. Fontani, E. Ruiz, P. Zanello, J. M. Russell and R. N. Grimes, «Electronic interactions in (η6-arene) ferracarboranes», Organometallics 2002, 21, 4129-4137. |
| L. A. Cuccia, E. Ruiz, J. M. Lehn, J. C. Homo and M. Schmutz, «Helical self-organization and hierarchical self-assembly of an oligoheterocyclic pyridine-pyridazine strand into extended supramolecular fibers», Chem. Eur. J. 2002, 8, 3448-3457. |
| A. Rodriguez-Fortea, P. Alemany, S. Alvarez and E. Ruiz, «Exchange coupling in halo-bridged dinuclear Cu(II) compounds: A density functional study», Inorg. Chem.2002, 41, 3769-3778. |
| G. Aullon and S. Alvarez, «Molecular structure and isomerization in square-planar edge-sharing dinuclear complexes with alkynyl bridges», Organometallics 2002, 21, 2627-2634. |
| G. Aullon, E. Ruiz and S. Alvarez, «Theoretical clues to the mechanism of dioxygen formation at the oxygen-evolving complex of photosystem II», Chem. Eur. J. 2002, 8, 2508-2515. |
| E. Ruiz, C. de Graaf, P. Alemany and S. Alvarez, «Further theoretical evidence for the exceptionally strong ferromagnetic coupling in oxo-bridged Cu(II) dinuclear complexes», J. Phys. Chem. A 2002, 106, 4938-4941. |
| C. Desplanches, E. Ruiz, A. Rodriguez-Fortea and S. Alvarez, «Exchange coupling of transition-metal ions through hydrogen bonding: A theoretical investigation», J. Am. Chem. Soc. 2002, 124, 5197-5205. |
| A. Carvajal, X. Y. Liu, P. Alemany, J. J. Novoa and S. Alvarez, «Ligand effects and dimer formation in dicoordinated copper(I) complexes», Int. J. Quantum Chem. 2002, 86, 100-105. |
| G. Aullon, A. Lledos and S. Alvarez, «Hexakis(silyl)palladium(VI) or palladium(II) with η2-disilane ligands?» Angew. Chem. Int. Ed. 2002, 41, 1956. |
| G. Aullon, M. Capdevila, W. Clegg, P. Gonzalez-Duarte, A. Lledos and R. Mas-Balleste, «First evidence of fast S-H···S proton transfer in a transition metal complex», Angew. Chem. Int. Ed. 2002, 41, 2776-+. |
| J. Tercero, C. Diaz, J. Ribas, J. Mahia and M. Maestro, «Synthesis and characterization of [Cu(Me2oxpn)Ni(NO2)(tmen)](ClO4): a single ferrimagnetic dinuclear CuII-NiIIcomplex acting as weak molecule-based magnet», Chem. Commun. 2002, 364-365. |
| J. Tercero, C. Diaz, J. Ribas, J. Mahia, M. Maestro and X. Solans, «Synthesis, characterization, and magnetic properties of new complexes based on self-assembled homotrinuclear units CuII-CuII-CuII«, J. Chem. Soc. Dalton Trans. 2002, 2040-2046. |
| A. A. Palacios, P. Alemany and S. Alvarez, «Structure and bonding in late transition metal dinuclear complexes with local trigonal planar geometries», J. Chem. Soc.. Dalton Trans. 2002, 2235-2243. |
| S. Alvarez, D. Avnir, M. Llunell, M. Pinsky. «Continuous Symmetry Maps and Shape Classification. The Case of Six-Coordinated Metal Compounds». New J. Chem., 2002, 26, 996-1009 |
2001
| G. Aullon and S. Alvarez, «The [M2(CO)8] complexes of the cobalt group», Eur. J. Inorg. Chem. 2001, 3031-3038. |
| A. Rodriguez-Fortea, P. Alemany, S. Alvarez and E. Ruiz, «Exchange coupling in carboxylato-bridged dinuclear copper(II) compounds: A density functional study», Chem. Eur. J. 2001, 7, 627-637. |
| T. Y. Chen, J. Vaissermann, E. Ruiz, J. P. Senateur and P. Doppelt, «2-methyl-1-hexen-3-yne Lewis base stabilized, β-diketonate copper(I) complexes: X-ray structures, theoretical study, and low-temperature chemical vapor deposition of copper metal», Chem. Mater. 2001, 13, 3993-4004. |
| V. Barone, F. F. de Biani, E. Ruiz and B. Sieklucka, «Electron transfer in the [Pt(NH3)4]2+ [W(CN)8]3- donor-acceptor system. The environment effect: A time-dependent density functional study», J. Am. Chem. Soc. 2001, 123, 10742-10743. |
| G. Aullon and S. Alvarez, «Molecular structures of edge-sharing square-planar dinuclear complexes with unsaturated bridges», Inorg. Chemi. 2001, 40, 4937-4946. |
| J. Tercero, C. Diaz, M. S. El Fallah, J. Ribas, X. Solans, M. A. Maestro and J. Mahia, «Synthesis, characterization, and magnetic properties of self-assembled compounds based on discrete homotrinuclear complexes of Cu(II)», Inorg. Chem. 2001, 40, 3077-3083. |
| L. Gutierrez, G. Alzuet, J. Borras, A. Castineiras, A. Rodriguez-Fortea and E. Ruiz, «Copper(II) complexes with 4-amino-N-[4,6-dimethyl-2-pyrimidinyl]benzenesulfonamide. Synthesis, crystal structure, magnetic properties, EPR, and theoretical studies of a novel mixed μ-carboxylato, NCN-bridged dinuclear copper compound», Inorg. Chem.2001, 40, 3089-3096. |
| S. Alvarez, M. Pinsky, M. Llunell, D. Avnir. «Continuous Chirality Analysis of Hexacoordinated Tris-Chelated Complexes». Cryst. Eng. 2001, 4, 179-200. |
| S. Alvarez, M. Pinsky, D. Avnir. «A Continuous Chirality Analysis of Homoleptic Hexacoordinated Complexes». Eur. J. Inorg. Chem., 2001, 1499-1503. |
| E. Ruiz, A. Rodriguez-Fortea, P. Alemany and S. Alvarez, «Density functional study of the exchange coupling in distorted cubane complexes containing the Cu4O4core», Polyhedron 2001, 20, 1323-1327. |
| R. S. Simons, K. J. Galat, J. D. Bradshaw, W. J. Youngs, C. A. Tessier, G. Aullon and S. Alvarez, «Reaction chemistry, NMR spectroscopy, and X-ray crystallography of [Fe2(μ-SiMe2)2(CO)4] and [Fe2(μ-SiMeCl)2(CO)4]. Electronic structure and bonding in Fe2E2 rings of [Fe2(μ-ER2)2(CO)4] binuclear complexes (E = C, Si, Ge, Sn, Pb)», J. Organomet. Chem. 2001, 628, 241-254. |
| G. Aullon and S. Alvarez, «Theoretical study of bonding, structure, and vibrational spectra of the [Fe2(CO)8]2- anion and its derivatives», Organometallics 2001, 20, 818-826. |
| A. Rodriguez-Fortea, P. Alemany, S. Alvarez, E. Ruiz, A. Scuiller, C. Decroix, V. Marvaud, J. Vaissermann, M. Verdaguer, I. Rosenman and M. Julve, «Exchange coupling in cyano-bridged homodinuclear Cu(II) and Ni(II) complexes: Synthesis, structure, magnetism, and density functional theoretical study», Inorg. Chem. 2001, 40, 5868-5877. |
| A. Buljan, M. Llunell, E. Ruiz and P. Alemany, «Color and conductivity in Cu2O and CuAlO2: A theoretical analysis of d10···d10 interactions in solid-state compounds», Chem. Mater. 2001, 13, 338-344. |
2000
| B. M. T. Lam, J. A. Halfen, V. G. Young, J. R. Hagadorn, P. L. Holland, A. Lledos, L. Cucurull-Sanchez, J. J. Novoa, S. Alvarez and W. B. Tolman, «Ligand macrocycle structural effects on copper-dioxygen reactivity», Inorg. Chem. 2000, 39, 4059-4072. |
| A. A. Palacios, G. Aullon, P. Alemany and S. Alvarez, «Through-ring bonding in edge sharing dimers of octahedral complexes», Inorg. Chem. 2000, 39, 3166-3175. |
| F. F. de Biani, E. Ruiz, J. Cano, J. J. Novoa and S. Alvarez, «Magnetic coupling in end-to-end azido-bridged copper and nickel binuclear complexes: A theoretical study», Inorg. Chem. 2000, 39, 3221-3229. |
| C. Diaz, J. Ribas, R. Costa, J. Tercero, M. S. El Fallah, X. Solans and M. Font-Bardia, «Reactions between dinuclear Cu-II-Ni-II complexes and the nitrito ligand: A new one-dimensional complex [Cu(oxpn)Ni(μ-NO2)(trimen)]n(ClO4)n with nitrite acting as a tridentate bridging ligand and ferro- and antiferromagnetic alternation», Eur. J. Inorg. Chem. 2000, 675-681. |
| G. Aullon, A. Lledos and S. Alvarez, «Structural correlations and conformational preference in edge-sharing binuclear d8 complexes with XR2 bridges. A theoretical study», Inorg. Chem. 2000, 39, 906-916. |
| E. Ruiz, J. Cano, S. Alvarez, P. Alemany and M. Verdaguer, «Theoretical approach to the magnetostructural correlations in the spin-Peierls compound CuGeO3«, Phys. Rev. B2000, 61, 54-57. |
| J. Cano, A. Rodriguez-Fortea, P. Alemany, S. Alvarez and E. Ruiz, «Asymmetry and magnetism in bis(oximato)-bridged heterobimetallic compounds: A computational approach», Chem. Eur. J. 2000, 6, 327-333. |
| E. Ruiz, P. Alemany, J. Llanos and S. Alvarez, «The coloring problem in Ba2Cu3VS6«, J. Chem. Soc. Dalton Trans. 2000, 1009-1011. |
| A. Ibarz, E. Ruiz and S. Alvarez, «Theoretical study of the guest···guest interactions of cobaltocene intercalated in metal sulfides», J. Chem. Soc. Dalton Trans. 2000, 1463-1467. |
| S. Alvarez, M. Llunell. «Continuous Symmetry Measures of Pentacoordinate Molecules: Berry and non-Berry Distortions of the Trigonal Bipyramid». J. Chem. Soc., Dalton Trans. , 2000, 3288-3303. |