| S. Conejeros, I. de P. R. Moreira, P. Alemany and E. Canadell. «Nature of Holes, Oxidation States and Hypervalency in Covellite (CuS)». Inorg. Chem., 2014, 53, 12402-12406. |
| W. Kaddour, H. Raffy, M. Monteverde, P. Auban-Senzier, J.-P. Pouget, C. R. Pasquier, P. Alemany, E. Canadell and L. Valade. «Charge density wave – metal coexistence in the quasi-one dimensional organic conductor TTF[Ni(dmit)2]2«. Phys. Rev. B, 2014, 90, 205132. |
| P. Alam, G. Singh, C. Climent, S. Pasha, D. Casanova, P. Alemany, A. R. Choudhury and I. R. Laskar. «New Aggregation Induced Emission (AIE) Active Cyclometalated Iridium(III) Based Phosphorescent Sensors: High Sensitivity for Mercury(II) Ions». Dalton Trans., 2014, 43, 16431-16440. |
| C. Climent, P. Alemany, D. Lee, J. Kim and D. Casanova. «Optical properties of 4-bromobenzaldehyde derivatives in chloroform solution». J. Phys. Chem. A, 2014, 118, 6914-6921 |
| P. Alemany, A. D’Aléo, M. Giorgi, E. Canadell and F. Fages. «C-H···BF2O2 interactions in crystals: a case for boron hydrogen bonding?».Cryst. Growth Des., 2014, 14, 3700-3703. |
| P. Alam, P. Das, C. Climent, K. Karanam, D. Casanova, A. R. Choudhury, P. Alemany, N. R. Jana and I. R. Laskar. «Facile Tuning of the Aggregation Induced Emission Wavelength in a Common Framework of a Cyclometalated Iridium(III) Complex: Micellar Encapsulated Probe in Cellular Imaging». J. Mater. Chem. C, 2014, 2, 5615-5628. |
| P. Alemany, J. P. Pouget and E. Canadell. «Electronic structure and anion ordering in (TMTSF)2ClO4 and (TMTSF)2NO3: a first principles study». Phys. Rev. B, 2014, 89, 155124. |
| V. Laukhin, A. Audouard, D. Vignolles, L. Drigo, P. Alemany and E. Canadell. «Fermi surface and effect of high magnetic fields on the metal semimetal Peierls-like transition of (TSeT)2Cl». Low Temp. Phys., 2014, 307-310. |
| A. Lorbach, E. Maverick, A. Carreras, P. Alemany, G. Wu, M. A. Garcia-Garibay and G. C. Bazan. “A Fullerene-Carbene Adduct as a Crystalline Molecular Rotor: Remarkable Behavior of a Spherically-Shaped Rotator” Phys. Chem. Chem. Phys., 2014, 16, 12980-12986. |
| J. Jover and N. Fey. “The computational road to better catalysts”. Chem. Asian J., 2014, 9, 1714-1723. |
| P. Seth, A. Figuerola, J. Jover, E. Ruiz and A. Ghosh. «Ferro- to antiferromagnetic crossover angle in diphenoxido- and carboxylato-bridged trinuclear Ni(II)2-Mn(II) complexes: Experimental observations and theoretical rationalization.» Inorg. Chem., 2014, 53, 9296-9305. |
| I. Oyarzábal, J. Ruiz, J. M. Seco, M. Evangelisti, A. Camon, E. Ruiz, D. Aravena and E. Colacio. «Rational electrostatic design of easy-axis magnetic anisotropy in a Zn(II)-Dy(III)-Zn(II) single-molecule magnet with a high energy barrier.» Chem. Eur. J., 2014, 20, 14262-1429. |
| F. Julia, G. Aullón, D. Bautista and P. González-Herrero. «Exploring excited-state tunability in luminescent tris-cyclometalated platinum(IV) complexes: Synthesis of heteroleptic derivatives and computational calculations.» Chem. Eur. J., 2014, 20, 17346-17359. |
| D. Aravena, Z. A. Castillo, M. C. Muñoz, A. B. Gaspar, K. Yoneda, R. Ohtani, A. Mishima, S. Kitagawa, M. Ohba, J. A. Real and E. Ruiz. «Guest modulation of spin-crossover transition temperature in a porous iron(ii) metal-organic framework: Experimental and periodic DFT studies». Chem. Eur. J., 2014, 20, 12864-12873. |
| J. Jover. “Computational insights into nucleophilic copper-catalyzed trifluoromethylation of aryl halides”. ACS Catal. 2014, 4, 4389-4397. |
| S. Alvarez, B. Menjón, A. Falceto, D. Casanova and P. Alemany. «Stereochemistry of Complexes with Double and Triple Metal-Ligand Bonds: A Continuous Shape Measures Analysis». Inorg. Chem. 2014, 53, 12151-12163. Doi: 10.1021/ic5021077. |
| A. Falceto, E. Carmona and S. Alvarez. «Electronic and Structural Effects of Low Hapticity Coordination of Arene Rings to Transition Metals». Organometallics 2014, 33, 6660-6668. Doi: 10.1021/om5009583. |
| A. Falceto, D. Casanova and S. Alvarez. «Distortions of π-coordinated Arenes with Anionic Character». Chem. Eur. J., 2014, 20, 14674-14689.Doi: 10.1002/chem.201403889. |
| C. Fliedel, V. Rosa, C. I. M. Santos, P. J. Gonzalez, R. M. Almeida, C. S. B. Gomes, P. T. Gomes, M. A. N. D. A. Lemos, G. Aullón, R. Welter and T. Avilés, “Synthesis, Structural Characterisation, and Density Functional Theory Studies of Ar-BIAN Cu(II) Complexes: Application in the Reverse Atom-Transfer Radical Polymerisation of Styrene” Dalton Trans., 2014, 43, 13041-13054. |
| S. Lentijo, J. E. Expósito, G. Aullón, J. A. Miguel, P. Espinet, “Highly Fluorescent Complexes with 3-isocyanoperylene and N-(2,5-di-tert-butylphenyl)-9-isocyanoperylene-3,4-dicarboximide” Dalton Trans., 2014, 43, 10885-10897. |
| A. G. Algarra, G. Aullón,P. V. Bernhardt, M. Martínez, “Computational Insights on the Chemistry of Cu(II) with a Mixed-donor N3S3Macrobicyclic Ligand” Inorg. Chem., 2014, 53, 512-521. |
| M. M. Hanninen,A. J. Mota, D. Aravena, E. Ruiz, R. Sillanpaa, A. Camon, M. Evangelisti, E. Colacio. Two C3-Symmetric Dy3(III) Complexes with Triple Di-μ-methoxo-μ-phenoxo Bridges, Magnetic Ground State, and Single-Molecule Magnetic Behavior. Chem. Eur. J., 2014, 20, 8410-8420. |
| S. Gómez-Coca, A. Urtizberea, E. Cremades, P. J. Alonso, A. Camon, E. Ruiz, F. Luis. «Origin of slow magnetic relaxation in Kramers ions with non-uniaxial anisotropy». Nature Commun. 2014, 5, 4300. Doi:10.1038/ncomms5300. |
| J. Vogt, S. Alvarez. «On the Van der Waals Radii of the Noble Gases». Inorg. Chem., 2014, 53, 9260-9266. Doi 10.1021/ic501364h; corrections: Doi 10.1021/ic502140y. |
| S. Alvarez, B. Menjón. «Modulation of the Coordination Sphere of f-Element Complexes by Fluorocarbons», highlight, Angew. Chem. Int. Ed., 2014, 53, 2810-2811. Doi 10.1002/anie.201310916. |
| J. Ponce, C. R. Arroyo, S. Tatay, R. Frisenda, P. Gaviña, D. Aravena, E. Ruiz, H. J. van der Zant, E. Coronado, «Effect of Metal Complexation on the Conductance of Single-Molecular Wires Measured at Room Temperature», J. Am. Chem. Soc. 2014, 136, 8314-8322. |
| A. M. Ako, Y. Lan, O. Hampe, E. Cremades, E. Ruiz, C. E. Anson, A. K. Powell, «All-round robustness of the Mn19 coordination cluster system: experimental validation of a theoretical prediction», Chem. Commun. 2014, 50, 5847. |
| M. Carrasco, N. Curado, E. Álvarez, C. Maya, R. Peloso, M. L. Poveda, A. Rodriguez, E. Ruiz, S. Alvarez, E. Carmona, «Experimental and Theoretical Studies on Arene-Bridged Metal-Metal-Bonded Dimolybdenum Complexes», Chem. Eur. J. 2014, 20, 6092-6102. |
| S. Gómez-Coca, E. Cremades, N. Aliaga-Alcalde, E. Ruiz, “Huge Magnetic Anisotropy in a Trigonal-Pyramidal Nickel(II) Complex”, Inorg. Chem. 2014, 53, 676-678. |
| F. Di Salvo, M. Y. Tsang, F. Teixidor, C. Viñas, J. G. Planas, J. Crassous, N. Vanthuyne, N. Aliaga-Alcalde, E. Ruiz, G. Coquerel, S. Clevers, V. Dupray, D. Choquesillo-Lazarte, M. E. Light, M. B. Hursthouse, «A Racemic and Enantiopure Unsymmetric Diiron(III) Complex with a Chiral o-Carborane-Based Pyridylalcohol Ligand: Combined Chiroptical, Magnetic, and Nonlinear Optical Properties», Chem. Eur. J. 2014, 20, 1081-1090. |
| Z. Yan, Z.-P. Ni, F.-S. Guo, J.-Y. Li, Y.-C. Chen, J.-L. Liu, W.-Q. Lin, D. Aravena, E. Ruiz, M.-L. Tong. «Spin-Crossover Behavior in Two New Supramolecular Isomers», Inorg. Chem. 2014, 53, 201-208. |
| E. Ruiz. «Charge transport properties of spin crossover systems», Phys.Chem.Chem.Phys. 2014, 16, 14. |