T. J. Mooibroek, G. Aromi, M. Quesada, O. Roubeau, P. Gamez, S. D. George, J. van Slageren, S. Yasin, E. Ruiz and J. Reedijk, «A Mixed-Valent Pentanuclear Cu4IICuI Compound Containing a Radical-Anion Ligand», Inorg. Chem. 200948, 10643-10651.
M. Cobian, P. Alemany, A. Garcia and E. Canadell, «Electronic Structure of the A8Tr11 (A=K, Rb, Cs; Tr=Ga, In, Tl) Zintl Phases: Possible Chemical Reasons Behind Their Activated versus Non Activated Conductivity», Inorg. Chem. 200948, 9792-9799.
M. Fondo, N. Ocampo, A. M. Garcia-Deibe, E. Ruiz, J. Tercero and J. Sanmartin, «Discovering the Complex Chemistry of a Simple NiII/H3L System: Magnetostructural Characterization and DFT Calculations of Di- and Polynuclear Nickel(II) Compounds», Inorg. Chem. 200948, 9861-9873.
Y. M. Rhee, D. Casanova and M. Head-Gordon, «Performance of Quasi-Degenerate Scaled Opposite Spin Perturbation Corrections to Single Excitation Configuration Interaction for Excited State Structures and Excitation Energies with Application to the Stokes Shift of 9-Methyl-9,10-dihydro-9-silaphenanthrene», J. Phys. Chem. A 2009113, 10564-10576.
S. Thakurta, P. Roy, R. J. Butcher, M. S. El Fallah, J. Tercero, E. Garribba and S. Mitra, «Ferromagnetic Coupling in a New Copper(II) Schiff Base Complex with Cubane Core: Structure, Magnetic Properties, DFT Study and Catalytic Activity», Eur. J. Inorg. Chem. 2009, 4385-4395.
G. Aullon, S. Alvarez, R. Cao, M. Ortiz and A. M. Diaz-Garcia, «Substitution of chloride by nitrosyl ligand in a scorpionate ruthenium(III) compound: A theoretical study», Inorg. Chim. Acta 2009362, 4651-4658.
E. Cremades, J. Cano, E. Ruiz, G. Rajaraman, C. J. Milios and E. K. Brechin, «Theoretical Methods Enlighten Magnetic Properties of a Family of Mn(6) Single-Molecule Magnets», Inorg. Chem. 200948, 8012-8019.
A. Rodriguez-Fortea, M. Llunell, P. Alemany and E. Canadell, «Electronic Structure and Spin Exchange Interactions in Na2V3O7: a Vanadium(IV) Oxide Nanotubular Phase», Inorg. Chem. 200948, 5779-5789.
M. Llunell, P. Alemany and I. D. R. Moreira, «Electronic Structure and Magnetic Properties of Potassium Ozonide KO3«, Inorg. Chem. 200948, 5938-5945.
M. Biswas, G. Pilet, J. Tercero, M. S. El Fallah and S. Mitra, «Synthesis, crystal structure, and magnetic properties of a new tetranuclear Cu(II) Schiff base compound», Inorg. Chim. Acta 2009362, 2915-2920.
Y. M. Rhee, D. Casanova and M. Head-Gordon, «Quartic-Scaling Analytical Gradient of Quasidegenerate Scaled Opposite Spin Second-Order Perturbation Corrections to Single Excitation Configuration Interaction», J. Chem. Theory Comput.20095, 1224-1236.
G. Aullon and S. Alvarez, «Oxidation states, atomic charges and orbital populations in transition metal complexes», Theor. Chem. Acc. 2009123, 67-73.
P. Alemany, M. Llunell and E. Canadell, «Uniform linear chains of group 11 atoms: do they have a bias towards a Peierls distortion?» Theor. Chem. Acc. 2009123, 85-92.
M. F. Lappert, S. Alvarez, G. Aullon, R. Fandos, A. Otero, A. Rodriguez, S. Rojas and P. Terreros, «Reactivity of a Super-Electron-Rich Olefin Derived from Cyclam», Eur. J. Inorg. Chem. 2009, 1851-1860.
P. Alemany, M. Llunell and E. Canadell, «Host-Guest Interactions, Uniform vs Fragmented Linear Atom Chains and Likeliness of Peierls Distortions in the (Ca7N4)[Mx] (M = Ag, Ga, In) Phases», Inorg. Chem. 200948, 2919-2931.
G. Manca, J. Cano and E. Ruiz, «Exchange Interactions in Azido-Bridged Ligand Ni(II) Complexes: A Theoretical Analysis», Inorg. Chem. 200948, 3139-3144.
R. Fandos, A. Otero, A. Rodriguez, P. Terreros, G. Aullon and S. Alvarez, «A New Titanium Alkoxide-Thiolate Complex as a Versatile Heterofunctional Metalloligand», Eur. J. Inorg. Chem. 2009, 1079-1085.
F. Setifi, S. Benmansour, M. Marchivie, G. Dupouy, S. Triki, J. Sala-Pala, J. Y. Salaun, C. J. Gomez-Garcia, S. Pillet, C. Lecomte and E. Ruiz, «Magnetic Bistability and Thermochromism in a Molecular CuII Chain», Inorg. Chem. 200948, 1269-+.
D. Casanova, L. V. Slipchenko, A. I. Krylov, M. Head-Gordon, J., «Double spin-flip approach within equation-of-motion coupled cluster and configuration interaction formalisms: theory, implementation and examples»  Chem. Phys. 2009130, 44103.
J. Cirera, E. Ruiz, S. Alvarez, F. Neese and J. Kortus, «How to Build Molecules with Large Magnetic Anisotropy», Chem. Eur. J. 200915, 4078-4087.
R. Carrasco, G. Aullon and S. Alvarez, «X-X Through-Cage Bonding in Cu, Ni, and Cr Complexes with M3X2 Cores (X = S, As)», Chem. Eur. J. 200915, 536-546.
E. Aznar, C. Coll, M. D. Marcos, R. Martinez-Manez, M. Sancenon, J. Soto, P. Amoros, J. Cano and E. Ruiz, «Borate-Driven Gatelike Scaffolding Using Mesoporous Materials Functionalised with Saccharides», Chem. Eur. J. 200915, 6877-6888.
A. Ruiz-Martínez, S. Alvarez.  “Stereochemistry of Compounds with Coordination Number Ten”.  Chem. Eur. J. 200915, 7470-7480
S. Alvarez, R. Hoffmann and C. Mealli, «A Bonding Quandary -or- A Demonstration of the Fact That Scientists Are Not Born With Logic», Chem. Eur. J. 200915, 8358-8373.
D. Casanova, M. Head-Gordon, «Restricted active space spin-flip configuration interaction approach: theory, implementation and examples» Phys. Chem. Chem. Phys. 200911, 9779-9790.
J. Echeverría, E. Cremades, A. J. Amoroso, S. Alvarez.  «Jahn-Teller Distortions of Six-coordinate Copper(II) Compounds: Cis or Trans?». Chem. Commun. 2009, 4242-4244
S. Gómez-Coca, E. Ruiz and J. Kortus, «Single-molecule magnet Fe9 supramolecular dimers: a theoretical approach to intramolecular and intermolecular exchange interactions», Chem. Commun. 2009, 4363-4365.
O. Crespo, M. C. Gimeno, A. Laguna, I. Ospino, G. Aullon and J. M. Oliva, «Organometallic gold complexes of carborane. Theoretical comparative analysis of ortho, meta, and para derivatives and luminescence studies», Dalton Trans. 2009, 3807-3813.
E. Cremades, T. Cauchy, J. Cano and E. Ruiz, «Can theoretical methods go beyond the experimental data? The case of molecular magnetism», Dalton Trans. 2009, 5873-5878.
D. Aguila, E. Escribano, S. Speed, D. Talancon, L. Yerman and S. Alvarez, «Calibrating the coordination chemistry tool chest: metrics of bi- and tridentate ligands», Dalton Trans. 2009, 6610-6625.
S. Roy, T. N. Mandal, A. K. Barik, S. Gupta, M. S. El Fallah, J. Tercero, R. J. Butcher and S. K. Kar, «Ferro- and anti-ferromagnetically coupled tetracopper(II) 2 x 2 homoleptic rectangular grids supported by both μ-O and μ-(N-N) bridges derived from a new pyrazole based polydentate Schiff base ligand-magneto-structural correlations and DFT calculation», Dalton Trans. 2009, 8215-8226.
G. Aullon, R. Chat, I. Favier, M. Font-Bardia, M. Gomez, J. Granell, M. Martinez and X. Solans, «Cyclometallation of amino-imines on palladium complexes. The effect of the solvent on the experimental and calculated mechanism», Dalton Trans.2009, 8292-8300.