S. Conejeros, I. de P. R. Moreira, P. Alemany and E. Canadell. «Nature of Holes, Oxidation States and Hypervalency in Covellite (CuS)». Inorg. Chem.201453, 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. B201490, 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.201443, 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. A2014118, 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., 201414, 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. C20142, 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. B201489, 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.201416, 12980-12986.
J. Jover and N. Fey. “The computational road to better catalysts”. Chem. Asian J.20149, 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.201453, 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.201420, 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., 201420, 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.201420, 12864-12873.
J. Jover. “Computational insights into nucleophilic copper-catalyzed trifluoromethylation of aryl halides”. ACS Catal. 20144, 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.  201453, 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 201433, 6660-6668. Doi: 10.1021/om5009583.
A. Falceto, D. Casanova and S. Alvarez.  «Distortions of π-coordinated Arenes with Anionic Character».  Chem. Eur. J.201420, 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.201443, 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.201443, 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.201453, 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.201420, 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. 20145, 4300.  Doi:10.1038/ncomms5300.
J. Vogt, S. Alvarez. «On the Van der Waals Radii of the Noble Gases».  Inorg. Chem.201453, 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.201453, 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. 2014136, 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. Commun201450, 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. 201420, 6092-6102.
S. Gómez-Coca, E. Cremades, N. Aliaga-Alcalde, E. Ruiz, “Huge Magnetic Anisotropy in a Trigonal-Pyramidal Nickel(II) Complex”, Inorg. Chem201453, 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. 201420, 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. Chem201453, 201-208.
E. Ruiz. «Charge transport properties of spin crossover systems», Phys.Chem.Chem.Phys. 201416, 14.