| S. Alvarez. «How Icosahedral are Icosahedral Clusters?» Inorg. Chim. Acta 2010, 363, 4392-4398. |
| D. Casanova, P. Alemany. «Quantifying the Symmetry Content of the Electronic Structure of Molecules: Molecular Orbitals and the Wave Function». Phys. Chem. Chem. Phys. 2010, 12, 15523. |
| S. Alvarez, J. Echeverría. «New Perspectives on Polyhedral Molecules and their Crystal Structures». J. Phys. Org. Chem.2010, 23, 1080-1087. |
| S. Sasmal, S. Hazra, P. Kundu, S. Majumder, N. Aliaga-Alcalde, E. Ruiz and S. Mohanta, «Magneto-Structural Correlation Studies and Theoretical Calculations of a Unique Family of Single End-to-End Azide-Bridged Ni4(II) Cyclic Clusters», Inorg. Chem. 2010, 49, 9517-9526. |
| E. Cremades and E. Ruiz, «Magnetic Properties of Largest-Spin Single Molecule Magnets: Mn17 Complexes-A Density Functional Theory Approach», Inorg. Chem. 2010, 49, 9641-9648. |
| A. Rodriguez-Fortea, M. Llunell, P. Alemany and E. Canadell, «First-principles study of the interaction between paramagnetic V4+ centers through formally magnetically inactive VO4 tetrahedra in the quasi-one-dimensional spin systems Sr2V3O9 and Ba2V3O9«, Phys. Rev. B 2010, 82, 134416. |
| V. Rosa, C. I. M. Santos, R. Welter, G. Aullon, C. Lodeiro and T. Aviles, «Comparison of the Structure and Stability of New alpha-Diimine Complexes of Copper(I) and Silver(I): Density Functional Theory versus Experimental», Inorg. Chem.2010, 49, 8699-8708. |
| D. Casanova, P. Alemany, S. Alvarez. «Symmetry Measures of the Electron Density». J. Comput. Chem., 2010, 31, 2389-2404 |
| C. Coll, E. Aznar, R. Martinez-Manez, M. D. Marcos, F. Sancenon, J. Soto, P. Amoros, J. Cano and E. Ruiz, «Fatty Acid Carboxylate- and Anionic Surfactant-Controlled Delivery Systems That Use Mesoporous Silica Supports», Chem. Eur. J.2010, 16, 10048-10061. |
| D. Venegas-Yazigi, D. Aravena, E. Spodine, E. Ruiz and S. Alvarez, «Structural and electronic effects on the exchange interactions in dinuclear bis(phenoxo)-bridged copper(II) complexes», Coord. Chem. Rev. 2010, 254, 2086-2095. |
| C. Biswas, M. G. B. Drew, E. Ruiz, M. Estrader, C. Diaz and A. Ghosh, «Synthesis, crystal structure and magnetic properties of three unprecedented tri-nuclear and one very rare tetra-nuclear copper(II) Schiff-base complexes supported by mixed azido/phenoxo/nitrato or acetato bridges», Dalton Trans. 2010, 39, 7474-7484. |
| F. Bell, D. Casanova, M. Head-Gordon, J., «Theoretical study of substituted PBPB dimers: structural analysis, tetraradical character, and excited states» J. Am. Chem. Soc. 2010, 132, 11314-11322. |
| M. Matsubara, C. Massobrio, L. M. Ramaniah, E. Ruiz and M. Boero, «Electronic structure and localization properties of C60Tan clusters (n = 1, 3): A first-principles study», Phys. Rev. B 2010, 81, 195433. |
| D. Casanova, F. P. Rotzinger, M. Grätzel, J. Chem., «Computational study of promising organic dyes for high-performance sensitized solar cells» J. Theory Comput. 2010, 6, 1219-1227. |
| C. Biswas, M. G. B. Drew, A. Figuerola, S. Gomez-Coca, E. Ruiz, V. Tangoulis and A. Ghosh, «Magnetic coupling in trinuclear partial cubane copper(II) complexes with a hydroxo bridging core and peripheral phenoxo bridges from NNO donor Schiff base ligands», Inorg. Chim. Acta 2010, 363, 846-854. |
| V. Gomez, M. Corbella and G. Aullon, «Two Temperature-Independent Spinomers of the Dinuclear MnIII Compound [{Mn(H2O)(phen)}2(µ2-ClC6H4COO)2(µ-O)](ClO4)2«, Inorg. Chem. 2010, 49, 1471-1480. |
| A. R. Tomsa, J. Martinez-Lillo, Y. L. Li, L. M. Chamoreau, K. Boubekeur, F. Farias, M. A. Novak, E. Cremades, E. Ruiz, A. Proust, M. Verdaguer and P. Gouzerh, «A new family of oxime-based hexanuclear manganese(III) single molecule magnets with high anisotropy energy barriers», Chem. Commun. 2010, 46, 5106-5108. |
| J. C. Knight, S. Alvarez, A. J. Amoroso, P. G. Edwards and N. Singh, «A novel bipyridine-based hexadentate tripodal framework with a strong preference for trigonal prismatic co-ordination geometries», Dalton Trans. 2010, 39, 3870-3883. |
| S. Gomez-Coca, T. Cauchy and E. Ruiz, «Extended Fe4 butterfly complexes: theoretical analysis of magnetic properties and magnetostructural maps», Dalton Trans. 2010, 39, 4832-4837. |
| G. A. Craig, L. A. Barrios, J. S. Costa, O. Roubeau, E. Ruiz, S. J. Teat, C. C. Wilson, L. Thomas and G. Aromi, «Synthesis of a novel heptacoordinated Fe(III) dinuclear complex: experimental and theoretical study of the magnetic properties», Dalton Trans. 2010, 39, 4874-4881. |
| E. Pardo, C. Train, R. Lescouezec, K. Boubekeur, E. Ruiz, F. Lloret and M. Verdaguer, «Synthesis, crystal structure and magnetic properties of two oxalato-bridged dimetallic trinuclear complexes combined with a polar cation», Dalton Trans.2010, 39, 4951-4958. |
| S. Conejeros, V. Sanchez, J. Llanos, P. Alemany and L. Padilla-Campos, «Copper mobility in CuFeS2, a layered trigonal phase obtained from LiCuFeS2«, Z. Krist. 2010, 225, 475-477. |
| E. Cremades, J. Echeverría, S. Alvarez. «The Trigonal Prism in Coordination Chemistry». Chem. Eur. J. 2010, 16, 10389-10396 |
| S. Alvarez and E. Ruiz, «Antiferromagnetism or Delocalized Spin in a Cu3S2 Core?» Chem. Eur. J. 2010, 16, 2726-2728. |
| M. C. Barral, D. Casanova, S. Herrero, R. Jimenez-Aparicio, M. R. Torres and F. A. Urbanos, «Tuning the Magnetic Moment of [Ru2(DPhF)3(O2CMe)L]+ Complexes (DPhF=N,N ‘-Diphenylformamidinate): A Theoretical Explanation of the Axial Ligand Influence», Chem. Eur. J. 2010, 16, 6203-6211. |
| A. Ruiz-Martínez, D. Casanova, S. Alvarez. «Ligand Association/Dissociation Paths and Ill Defined Coordination Numbers». Chem. Eur. J. 2010, 16, 6567-6581 |
| J. M. Oliva, P. V. Schleyer, G. Aullon, J. I. Burgos, A. Fernandez-Barbero and I. Alkorta, «On the electronic structure and stability of icosahedral r-X2Z10H12 and Z12H122- clusters; r = {ortho, meta, para}, X = {C, Si}, Z = {B, Al}», Phys. Chem. Chem. Phys. 2010, 12, 5101-5108. |