| P. M. Zimmerman, F. Bell, D. Casanova, M. Head-Gordon, J., «Mechanism for singlet fission in pentacene and tetracene: from single exciton to two triplet.» J. Am. Chem. Soc., 2011, 133, 19944-19952. |
| P. Alemany, D. Casanova, C. Dryzun. «Electronic Structure and Symmetry in Conjugated π-Electron Systems», Chem. Eur. J. 2011, 17, 14896-14906 |
| D. Casanova, «The Role of the π Linker in Donor-π-Acceptor Organic Dyes for High-Performance Sensitized Solar Cells», ChemPhysChem 2011, 12, 2979-2988. |
| A. I. S. Neves, I. C. Santos, L. C. J. Pereira, C. Rovira, E. Ruiz, D. Belo and M. Almeida, «Ni-2,3-thiophenedithiolate Anions in New Architectures: An In-Line Mixed-Valence Ni Dithiolene Ni4S12 Cluster», Eur. J. Inorg. Chem. 2011, 4807-4815. |
| G. D. Roiban, E. Serrano, T. Soler, G. Aullon, I. Grosu, C. Cativiela, M. Martinez and E. P. Urriolabeitia, «Regioselective Orthopalladation of (Z)-2-Aryl-4-Arylidene-5(4H)-Oxazolones: Scope, Kinetico-Mechanistic, and Density Functional Theory Studies of the C-H Bond Activation», Inorg. Chem. 2011, 50, 8132-8143. |
| G. Wu, J. Huang, L. L. Sun, J. Q. Bai, G. H. Li, E. Cremades, E. Ruiz, R. Clerac and S. L. Qiu, «ST = 22 [Mn10] Supertetrahedral Building-Block to Design Extended Magnetic Networks», Inorg. Chem. 2011, 50, 8580-8587. |
| P. Auban-Senzier, D. Jerome, N. Doiron-Leyraud, S. R. de Cotret, A. Sedeki, C. Bourbonnais, L. Taillefer, P. Alemany, E. Canadell and K. Bechgaard, «The metallic transport of (TMTSF)2X organic conductors close to the superconducting phase», J. Phys.- Cond. Matter 2011, 23, 345702. |
| D. Casanova, P. Alemany. «Revisiting the Foundations of Symmetry Operation Measures for Electronic Functions», Chem. Phys. Lett., 2011, 511, 486-490. |
| D. Aravena and E. Ruiz, «The Dilemma of CrIIINiII Exchange Interactions: Ferromagnetism versus Antiferromagnetism», Chem. Eur. J. 2011, 17, 8841-8849. |
| P. Alemany, A. Rodriguez-Fortea and E. Canadell, «Electronic Structure of the Two-Leg Spin Ladder (C5H12N)2CuBr4«, Inorg. Chem. 2011, 50, 6399-6401. |
| E. Ruiz, «Exchange Coupling Constants using Density Functional Theory: Long-Range Corrected Functionals», J. Comput. Chem. 2011, 32, 1998-2004. |
| A. Hosoi, Y. Yukawa, S. Igarashi, S. J. Teat, O. Roubeau, M. Evangelisti, E. Cremades, E. Ruiz, L. A. Barrios and G. Aromi, «A Molecular Pair of [GdNi3] Tetrahedra Bridged by Water Molecules», Chem. Eur. J. 2011, 17, 8264-8268. |
| R. Scipioni, M. Matsubara, E. Ruiz, C. Massobrio and M. Boero, «Thermal behavior of Si-doped fullerenes vs their structural stability at T=0 K: A density functional study», Chem. Phys. Lett. 2011, 510, 14-17. |
| G. Aullon, K. Gomez, G. Gonzalez, S. Jansat, M. Martinez, R. Poli and M. Rodriguez-Zubiri, «Kinetico-Mechanistic Information about Alkene Hydroamination with Aniline in Bromide-Rich Ionic Media: Importance of Solvolysis», Inorg. Chem. 2011, 50, 5628-5636. |
| E. Cremades and E. Ruiz, «Mononuclear FeII Single-Molecule Magnets: A Theoretical Approach», Inorg. Chem. 2011, 50, 4016-4020. |
| M. Fourmigue, E. W. Reinheimer, A. Assaf, O. Jeannin, A. Saad, P. Auban-Senzier, P. Alemany, A. Rodriguez-Fortea and E. Canadell, «Syntheses, Crystal Structures, Transport Properties and First-Principles Electronic Structure Study of the (tTTF)2X (X = Br, I) Low-Dimensional Antiferromagnets», Inorg. Chem. 2011, 50, 4171-4181. |
| C. Dryzun, P. Alemany, D. Casanova, D. Avnir. «A Continuous Symmetry Analysis of Chemical Bonding». Chem. Eur. J.2011, 17, 6129-6141 |
| J. S. Costa, G. A. Craig, L. A. Barrios, O. Roubeau, E. Ruiz, S. Gomez-Coca, S. J. Teat and G. Aromi, «The Use of a Bis(phenylpyrazolyl)pyridyl Ligand to Prepare [Mn4] and [Mn10] Cage Complexes», Chem. Eur. J. 2011, 17, 4960-4963. |
| J. Echeverria, G. Aullon, D. Danovich, S. Shaik and S. Alvarez, «Dihydrogen contacts in alkanes are subtle but not faint», Nature Chem. 2011, 3, 323-330. |
| J. Echeverría, A. Carreras, D. Casanova, P. Alemany, S. Alvarez. «Concurrent Symmetries. The Interplay Between Local and Global Molecular Symmetries». Chem. Eur. J. 2011, 17, 359-367. |
| R. Diaz-Torres and S. Alvarez, «Coordinating ability of anions and solvents towards transition metals and lanthanides», Dalton Trans. 2011, 40, 10742-10750. |