| 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. 2009, 48, 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. 2009, 48, 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. 2009, 48, 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 2009, 113, 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 2009, 362, 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. 2009, 48, 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. 2009, 48, 5779-5789. |
| M. Llunell, P. Alemany and I. D. R. Moreira, «Electronic Structure and Magnetic Properties of Potassium Ozonide KO3«, Inorg. Chem. 2009, 48, 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 2009, 362, 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.2009, 5, 1224-1236. |
| G. Aullon and S. Alvarez, «Oxidation states, atomic charges and orbital populations in transition metal complexes», Theor. Chem. Acc. 2009, 123, 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. 2009, 123, 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. 2009, 48, 2919-2931. |
| G. Manca, J. Cano and E. Ruiz, «Exchange Interactions in Azido-Bridged Ligand Ni(II) Complexes: A Theoretical Analysis», Inorg. Chem. 2009, 48, 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. 2009, 48, 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. 2009, 130, 44103. |
| J. Cirera, E. Ruiz, S. Alvarez, F. Neese and J. Kortus, «How to Build Molecules with Large Magnetic Anisotropy», Chem. Eur. J. 2009, 15, 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. 2009, 15, 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. 2009, 15, 6877-6888. |
| A. Ruiz-Martínez, S. Alvarez. “Stereochemistry of Compounds with Coordination Number Ten”. Chem. Eur. J. 2009, 15, 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. 2009, 15, 8358-8373. |
| D. Casanova, M. Head-Gordon, «Restricted active space spin-flip configuration interaction approach: theory, implementation and examples» Phys. Chem. Chem. Phys. 2009, 11, 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. |