| D. Casanova, P. Alemany, S. Alvarez. «Polyhedral Interconversion Triggered by Hydrogen Transfer Between an Amine and the [Co(CO)4]- Anion». Angew. Chem., Int. Ed., 2006, 45, 1457-1460 |
| T. Cauchy, E. Ruiz and S. Alvarez, «Magnetostructural correlations in polynuclear complexes: The Fe4 butterflies», J. Am. Chem. Soc. 2006, 128, 15722-15727. |
| G. Aullon, P. V. Bernhardt, F. Bozoglian, M. Font-Bardia, B. P. Macpherson, M. Martinez, C. Rodriguez and X. Solans, «Isomeric distribution and catalyzed isomerization of cobalt(III) complexes with pentadentate macrocyclic ligands. Importance of hydrogen bonding», Inorg. Chem. 2006, 45, 8551-8562. |
| T. Cauchy, E. Ruiz and S. Alvarez, «Exchange coupling interactions in a Fe6 complex: A theoretical study using density functional theory», Phys. B – Cond. Matter 2006, 384, 116-119. |
| D. Venegas-Yazigi, J. Cano, E. Ruiz and S. Alvarez, «Theoretical study of the electronic properties and exchange coupling in a Ni4 cubane like single-molecule magnet», Phys. B – Cond. Matter 2006, 384, 123-125. |
| W. J. Marshall, G. Aullon, S. Alvarez, K. D. Dobbs and V. V. Grushin, «»To bend or not to bend»? Both! The planar and bent structures of [(Ph3P)4Rh2(µ-F)2]», Eur. J. Inorg. Chem. 2006, 3340-3345. |
| C. E. Talbot-Eeckelaers, G. Rajaraman, J. Cano, G. Aromi, E. Ruiz and E. K. Brechin, «Encouraging chromium(III) ions to form larger clusters: Syntheses, structures, magnetic properties and theoretical studies of di- and octametallic Cr clusters», Eur. J. Inorg. Chem. 2006, 3382-3392. |
| M. A. Carvajal, S. Alvarez and J. J. Novoa, «The nature of the AuI···AuI interactions between cationic [AuL2]+ complexes in the solid state», Theor. Chem. Acc. 2006, 116, 472-479. |
| A. Otero-Calvi, G. Aullon, S. Alvarez, L. A. Montero and W. D. Stohrer, «Bonding and solvation preferences of nickel complexes [Ni(S2PR2)2] (R = H, Me, OMe) according a natural bond orbital analysis», J. Mol. Struct. Theochem 2006, 767, 37-41. |
| K. M. Ok, P. S. Halasyamani, D. Casanova, M. Llunell, P. Alemany and S. Alvarez, «Distortions in octahedrally coordinated d0transition metal oxides: A continuous symmetry measures approach», Chem. Mater. 2006, 18, 3176-3183. |
| D. Venegas-Yazigi, E. Ruiz, J. Cano and S. Alvarez, «Theoretical study of the exchange coupling in a Ni12 single-molecule magnet», Dalton Trans. 2006, 2643-2646. |
| J. Cirera, E. Ruiz and S. Alvarez, «Shape and spin state in four-coordinate transition-metal complexes: The case of the d6configuration», Chem. Eur. J. 2006, 12, 3162-3167. |
| E. Ruiz, J. Cano, S. Alvarez and V. Polo, «Reply to «Comment on ‘About the calculation of exchange coupling constants using density-functional theory: The role of the self-interaction error'» [J. Chem. Phys. 123, 164110 (2005)]», J. Chem. Phys. 2006, 123, 107102. |
| E. Ruiz, F. Nunzi and S. Alvarez, «Magnetic communication through functionalized nanotubes: A theoretical study», Nano Letters 2006, 6, 380-384. |
| D. M. Low, G. Rajaraman, M. Helliwell, G. Timco, J. van Slageren, R. Sessoli, S. T. Ochsenbein, R. Bircher, C. Dobe, O. Waldmann, H. U. Gudel, M. A. Adams, E. Ruiz, S. Alvarez and E. J. L. McInnes, «A family of ferro- and antiferromagnetically coupled decametallic chromium(III) wheels», Chem. Eur. J. 2006, 12, 1385-1396. |
| E. Ruiz, M. Llunell, J. Cano, P. Rabu, M. Drillon and C. Massobrio, «Theoretical determination of multiple exchange couplings and magnetic susceptibility data in inorganic solids: The prototypical case of Cu2(OH)3NO3«, J. Phys. Chem. B2006, 110, 115-118. |
| D. Casanova, P. Alemany and S. Alvarez, «Polyhedral interconversion coupled with proton transfer between an ammonium cation and the [Co(CO)4]–ion», Angew. Chem. Int. Ed. 2006, 45, 1457-1460. |
| S. Alvarez and J. Cirera, «How high the spin? Allowed and forbidden spin states in transition-metal chemistry», Angew. Chem. Int. Ed. 2006, 45, 3012-3020. |
| J. Tercero, E. Ruiz, S. Alvarez, A. Rodriguez-Fortea and P. Alemany, «Density functional study of magnetostructural correlations in cubane complexes containing the Cu4O4 core», J. Mater. Chem. 2006, 16, 2729-2735. |
| S. Alvarez. «Nesting of Fullerenes and Frank-Kasper Polyhedra». Dalton Trans., 2006, 2045-2051. |
