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Publications 2013

Relevant articles published by IQTC-UB members

The list of articles and book chapters are ordered by year of publication. In the following index, select the period of time you would like to check in order to see the corresponding list of publications.

2013

 

  • A. Tankrathok, J. Iglesias-Fernández, S. Luang, R. C. Robinson, A. Kimura, C. Rovira, M. Hrmova, J. Ketudat Cairns. Structural analysis and insights into the glycon specificity of the rice GH1 Os7BGlu26 β-D-mannosidase. Acta Crystallogr. D 69 (2013) 2124
  • Interconversion of Quadruply- and Quintuply-Bonded Dimolybdenum Complexes by Reductive Elimination and Oxidative Addition Reactions of Dihydrogen M. Carrasco, N. Curado, C. Maya, R. Peloso, A. Rodríguez, E. Ruiz, S. Alvarez, E. Carmona Angew. Chem. Int. Ed.52 (2013), 3227-3231.
  • Evidence for Multicenter Bonding in Dianionic Tetracyanoethylene Dimers by Raman Spectroscopy. J. Casado, P. Mayorga Burrezo, F.J. Ramírez, J.T. López Navarrete, S.H. Lapidus, P.W. Stephens, H.-L. Vo, J.S. Miller, F. Mota, J.J. Novoa. Angew. Chem. Int. Ed. 52 (2013) 6481-6485.
  • Slow Magnetic Relaxation in a CoII–YIII Single-Ion Magnet with Positive Axial Zero-Field Splitting E. Colacio, J. Ruiz, E. Ruiz, E. Cremades, J. Krzystek, S. Carretta, J. Cano, T. Guidi, W. Wernsdorfer, E. K. Brechin Angew. Chem. Int. Ed.52 (2013), 9130-9134.
  • Combined inhibitor free-energy landscape and structural analysis reports on the mannosidase conformational coordinate. R. J. Williams, J. Iglesias-Fernández, J. Stepper, A. Jackson, A. J. Thompson, E. C. Lowe, J. M. White, H. J. Gilbert, C. Rovira, G. J. Davies, S. J. Williams. Angew. Chem. Int. Ed. (2013). In press (DOI: 10.1002/anie.201308334).
  • Electroporation of heterogeneous lipid membranes.R. Reigada. Biochimica et Biophysica Acta (2013), accepted.
  • Effect of crowding by Dextrans in enzymatic reactions I. Pastor, C. Balcells, L. Pitulice, E. Vilaseca, S. Madurga, A. Isvoran, M. Cascante, F. Mas Biophysical Chemistry, 185 (2014) 8.
  • Enantioselective preparation of δ-valerolactones using horse liver alcohol dehydrogenase. A. Díaz-Rodríguez, J. Iglesias-Fernández, C. Rovira, V. Gotor-Fernández. ChemCatChem (2013). Available on-line (DOI: 10.1002/cctc.201300640).
  • Two 3d-4f Nanomagnets Formed via Two-step in-situ Reaction of Picolinaldehyde J.-L. Liu, Y.-C. Chen, Q.-W. Li, S. Gómez-Coca, D. Aravena, E. Ruiz, W.-Q. Lin, J.-D. Leng, M.-L. Tong Chem. Commun.49 (2013), 6549-6551.
  • Unprecedented Ferromagnetic Dipolar Interaction in a Dinuclear Holmium(III) Complex: a combined Experimental and Theoretical Study D. Leng, J. L. Liu, W. Q. Lin, S. Gomez-Coca, D. Aravena, E. Ruiz, M. L. Tong Chem. Commun.49 (2013), 9341-9343.
  • Tuning the Surface Chemistry of Pd by Atomic C and H: A Microscopic Picture. H.A. Aleksandrov, F. Viñes, W. Ludwig, S. Schauermann, K.M. Neyman. Chem. Eur. J.19 (2013) 1335-1345.
  • Copper Versus Thioether-Centered Oxidation: Mechanistic Insight into the Non-Innocent Redox Behavior of Tripodal Benzimidazolylaminothioether Ligands P. R. Martínez-Alanís, B. N. Sánchez-Eguía, V. M. Ugalde-Saldívar, I. Regla, P. Demare, G. Aullón, I. Castillo Chem. Eur. J.19 (2013), 6067-6079.
  • Formation of a covalent glycosyl-enzyme species in a retaining glycosyltransferase. V. Rojas-Cervellera, A. Ardèvol, M. Boero, A. Planas, C. Rovira. Chem. Eur. J.42 (2013) 14018. Section cover.
  • Ultrafast Deactivation Mechanism of the Excited Singlet in the Light-Induced Spin Crossover of [Fe(2,2’-bipyridine)3]2+.C. Sousa, C. de Graaf, A. Rudavskyi, R. Broer, J. Tatchen, M. Etinski, C. M. Marian. Chem. Eur. J. 19 (2013) 17541-17551.
  • CuII-GdIII Cryogenic Magnetic Refrigerants and Cu8Dy9 Single-Molecule Magnet Generated by In Situ Reactions of Picolinaldehyde and Acetylpyridine: Experimental and Theoretical Study J.-L. Liu, W.-Q. Lin, Y.-C. Chen, S. Gómez-Coca, D. Aravena, E. Ruiz, J.-D. Leng, M.-L. Tong Chem. Eur. J.19 (2013), en prensa (doi:10.1002/chem.201303275)
  • Electronic structure calculations for the study of D-π-A organic sensitizers: Exploring polythiophene linkers. C. Climent, D. Casanova. Chem. Phys.423 (2013) 157
  • Assessing the importance of Van der Waals interactions on the adsorption of azobenzene on the rutile TiO2(110) surface. J.P. Prates Ramalho, F. Illas. Chem. Phys. Lett.557 (2013) 194-194
  • Effect of spin ordering on structure and structural transitions in the (MnS)(6) magic cluster. A. D. Lewoczko, J. J. BelBruno, S. T. Bromley Chem. Phys. Lett. 556 (2013) 207.
  • Theoretical Approaches to Excited-State-Related Phenomena in Oxide Surfaces. C. Sousa, S. Tosoni, F. Illas. Chem. Rev.113 (2013) 4456-4495.
  • Computational Comparison of CPDT to other Conjugated Linkers in Triarylamine-based Organic Dyes. C. Climent, D. Casanova. Chimia67 (2013) 116.
  • Highly Fluorescent Complexes with Gold, Palladium or Platinum linked to Perylene through a Tetrafluorophenyl Group S. Lentijo, G. Aullón, J. A. Miguel, P. Espinet  Dalton Trans.42 (2013), 6353-6365.
  • Stereo-spin Isomerism in Pentacoordinate Iron Porphyrin Complexes: The Case of [Fe(porphyrinato)(CN)]– Systems J. Cirera, S. Alvarez Dalton Trans.42 (2013), 7002-7008.
  • A Cartography of the Van der Waals Territory S. Alvarez Dalton Trans.42 (2013), 8617-8636.
  • Spins on a Curved Surface: an FeIII14 Ferracalixarene A. M. Ako, Y. Lan, V. Mareacre E. Ruiz, D. Aravena, C. E. Anson, A. K. Powell Dalton Trans.42 (2013), 9606-9612.
  • Explanation of the site-specific spin crossover in Fe(mtz)6 (BF4)2. A. Rudavskyi, R.W.A. Havenith, R. Broer, C. de Graaf, C. Sousa. Dalton Trans.42 (2013) 14702-14709.
  • Factors affecting the magnetic coupling in Sr2V3O9 type oxides: As for V substitution in the VO4 tetrahedra and nature of the cation. A. Rodriguez-Fortea, M. Llunell, P. Alemany, E. Canadell. Dalton Trans.42 (2013) 15555.
  • Competitive solvation of K+ by C6H6 and H2O in the K+-(C6H6)n-(H2O)m (n = 1–4; m = 1–6) aggregates M. Albertí, N. Faginas Lago Eur. Phys. J. D 67 (2013) 73.
  • Self-Assembly of Pentanuclear Mesocate versus Octanuclear Helicate: Size Effect of the [MII2(3-O/X)]n+ Triangle Core X. Bao, W. Liu, J.-L. Liu, S. Gómez-Coca, E. Ruiz, M.-L. Tong Inorg. Chem.52 (2013), 1099-1107.
  • Magnetic Interactions Mediated by Diamagnetic Cations in [Mn18M] (M = Sr2+, Y3+, Cd2+, and Lu3+) Coordination Clusters A. M. Ako, B. Burger, Y. Lan, V. Mereacre, R. Clérac, G. Buth, S. Gómez-Coca, E. Ruiz, C. E. Anson, A. K. Powell Inorg. Chem. 52 (2013), 5764-5774.
  • Pseudosymmetry Analysis of the d-block Molecular Orbitals in Four-coordinate Complexes A. Falceto, D. Casanova, P. Alemany, S. Alvarez Inorg. Chem.52 (2013), 6510-6519.
  • Structures, magnetochemistry, Spectroscopy, Theorical Study, and Catechol Oxidase Activity of Dinuclear and Dimer-of-Dinuclear Mixed-Valence MnIIIMnII Complexes Derived from a Macrocyclic Ligand A. Jana, N. Aliaga-Alcalde, E. Ruiz, S. Mohanta Inorg. Chem.52 (2013), 7732-7746.
  • A MnII6MnIII6 Single-Strand Molecular Wheel with a Reuleaux Triangular Topology: Synthesis, Structure, Magnetism, and DFT Studies S. Zartilas, C. Papatriantafyllopoulou, T. C. Stamatatos, V. Nastopoulos, E. Cremades, E. Ruiz, G. Christou, C. Lampropoulos, A. J. Tasiopoulos Inorg. Chem.52 (2013), 12070-12079.
  • Reversible Chemisorption of Sulfur Dioxide in a Spin Crossover Porous Coordination Polymer Z. Arcis-Castillo, F. J. Munoz-Lara, M. C. Munoz, D. Aravena, A. B. Gaspar, J. F. Sanchez-Royo, E. Ruiz, M. Ohba, R. Matsuda, S. Kitagawa, J. A. Real Inorg. Chem.52 (2013), 12777-12783.
  • Dividing the Spoils: Role of pyrazine ligands and perchlorate counterions in the magnetic properties of bis(pyrazine)diperchloratecopper(II), [Cu(pz)2](ClO4)2.. S. Vela, J. Jornet-Somoza, M.M. Turnbull, R. Feyerherm, J.J. Novoa, M. Deumal Inorg. Chem. 52 (2013) 12923-12932.
  • Shedding Light on the Single-Molecule Magnet Behavior of Mononuclear Dy(III) Complexes D. Aravena, E. Ruiz Inorg. Chem.52 (2013), en prensa (doi:10.1021/ic402367c)
  • Analyzing the Electronic Structure of Molecules Using Continuous Symmetry Measures P. Alemany  Int. J. Quantum Chem.113 (2013), 1814-1820.
  • Mononuclear Single-Molecule Magnets: Tailoring the Magnetic Anisotropy of First-Row Transition-Metal Complexes S Gómez-Coca, E. Cremades, N. Aliaga-Alcaide, E. Ruiz J. Am. Chem. Soc.135 (2013), 7010-7018.
  • Keys for the existence of stable dimers of bis-TTF-functionalized molecular clips presenting short-distance [TTF]·+···[TTF]·+ interactions at room temperature. M. Fumanal, M. Capdevila-Cortada, J.S. Miller, J.J. Novoa. J. Am. Chem. Soc. 135 (2013) 13814-13826.
  • Structures of the substrate-free and the product-bound forms of HmuO, a heme oxygenase from Corynebacterium diphtheriae: X-ray crystallography and molecular dynamics investigation. M. Unno, A. Ardèvol, C. Rovira, M. Ikeda-Saito. J. Biol. Chem. 288 (2013) 34443. Selected as Paper of the Week.
  • Influence of macromolecular crowding on the oxidation of ABTS by hydrogen peroxide catalyzed by HRP. L. Pitulice, I. Pastor, E. Vilaseca, S. Madurga, A. Isvoran, M. Cascante, F. Mas Journal of Biocatalysis & Biotransformation, 2 (2013) 1000107.
  • CO2 Hydrogenation on Au/TiC, Cu/TiC, and Ni/TiC Catalytst: Production of CO, Methanol, and Methane. J.A. Rodriguez, J. Evans, L. Feria, A.B. Vidal, P. Liu, K. Nakamura, F. Illas. J. Catal.307 (2013) 162-169.
  • A Comparison Model Between Density Functional and Wave Function Theories by Means of the Löwdin Partitioning Technique. M. Caballero, I. de P.R. Moreira, J.M. Bofill. J. Chem. Phys. 17 (2013) 1118.
  • Effect of MgO(100) support on structure and properties of Pd and Pt nanoparticles with 49-155 atoms. S.M. Kozlov, H.A. Aleksandrov, J. Goniakowski, K.M. Neyman. J. Chem. Phys. 139 (2013) 084701, 1-10 (journal front cover).
  • Conical-intersection quantum dynamics of OH(A2+) + H(2S) collisions P. Gamallo, S. Akpinar, P. Defazio, C. Petrongolo J. Chem. Phys.139 (2013) 094303/1.
  • One-dimensional embedded cluster approach to modeling CdS nanowires J. Buckeridge, S. T. Bromley, A. Walsh, C. R. A. Catlow, A. A. Sokol J. Chem. Phys., 139 (2013) 124101.
  • Experimental study of the reactive processes in the gas phase K+ + i-C3H7Cl collisions. A comparison with Li and Na ions. J. Aguilar, J.M. Lucas, J. de Andrés, M. Albertí, D. Bassi and A. Aguilar J. Chem. Phys. 138 (2013) 184310
  • Theoretical assessment of graphene-metal contacts. J. Patanachai, F. Viñes, S.M. Kozlov, J. Limtrakul, F. Illas. J. Chem. Phys. 138 (2013) 244701.
  • A comparison model between density functional and wave function theories by means of the Lowdin partitioning technique. M. Caballero, I.P.R. Moreira, J.M. Bofill. J. Chem. Phys. 138 (2013) 174107.
  • Understanding the Nature of the CH···HC Interaction in Alkanes D. Danovich, S. Shaik, F. Neese, J. Echeverría, G. Aullón, S. Alvarez J. Chem. Theor. Comput.9 (2013), 1977-1991.
  • Establishing the Accuracy of Broadly Used Density Functionals in Describing Bulk Properties of Transition Metals. J. Patanachai, S.M. Kozlov, F. Viñes, J. Limtrakul, F. Illas. J. Chem. Theo. Comput. 138 (2013) 244701.
  • Efficient implementation of restricted active space configuration interaction with the hole and particle approximation D. Casanova J. Comput. Chem.34 (2013), 720.
  • Pseudosymmetry Analysis of Molecular Orbitals D. Casanova, P. Alemany, A. Falceto, A. Carreras, S. Alvarez J. Comput. Chem.34 (2013), 1321-1331.
  • Analysis of the Valley-Ridge Inflection Points through the Partitioning Technique of the Hessian Eigenvalue Equation. J.M. Bofill, W. Quapp. J. Math. Chem.51 (2013) 1099
  • Level sets as progressing waves: an example for wake-free waves in every dimension. W. Quapp, J.M. Bofill. J. Math. Chem. (2013). DOI: 10.1007/s10910-013-0286-9.
  • Structural analysis of the inhibition of APRIL by TACI and BCMA through molecular dynamics simulations. M. González-Mendióroz, A.B. Álvarez-Vázquez, J. Rubio-Martinez. J. Mol. Graph. Model39 (2013) 13
  • Structure-based approach to the design of BakBH3 mimetic peptides with increased helical propensity. L. Delgado-Soler, M.M. Orzaez, J. Rubio-Martinez. J. Mol. Model 19 (2013) 4305
  • Theoretical Investigation of Stilbene as Photochromic Spin Coupler. A.K. Pal, S. Hansda, S.N. Datta, F. Illas. J. Phys. Chem. A 117 (2013) 1773-1783.
  • Resonances in the Ne + H2+→ NeH+ + H proton-transfer reaction. P. Gamallo, F. Huarte-Larrañaga, M. González. J. Phys. Chem. A117 (2013) 5393.
  • Carbon Dioxide Clathrate Hydrates: Selective Role of Intermolecular Interactions and Action of the SDS Catalyst M. Albertí, F. Pirani, A. Laganà J. Phys. Chem. A 117 (2013) 6991.
  • Microsolvation of the Potassium-Ion with Aromatic Rings: Comparison between Hexafluorobenzene and Benzene. J. Marques, J. Llanio-Trujillo, M. Albertí, A. Aguilar and F. Pirani. J. Phys. Chem. A 117 (2013) 8043.
  • A Model Potential for Acetonitrile: from Small Clusters to Liquid M. Albertí, A. Amat, F. De Angelis, F. Pirani J. Phys. Chem. B117 (2013) 7065.
  • Brønsted-Evans-Polanyi Relationship for Transition Metal Carbide and Transition Metal Oxide Surfaces. F. Viñes, A. Vojvodic, F. Abild-Pedersen, F. Illas. J. Phys. Chem. C 117 (2013) 4168-4171.
  • Elementary reaction processes involving atomic and molecular oxygen on ZrB2 (0001) surface P. Gamallo, R. Sayós J. Phys. Chem. C117 (2013) 5831
  • Magic Numbers in a One-Dimensional Nanosystem: ZnS Single-Walled Nanotubes N. Krainara, J. Limtrakul, F. Illas, S. T. Bromley J. Phys. Chem. C117 (2013) 22908.
  • Negative feedback self-regulation contributes to robust and high-fidelity transmembrane signal transduction. M.A. Serrano, M. Jurado, R. Reigada. J. R. Soc. Interface10 (2013) 20130581
  • Remarks on the Exact Energy Functional for Fermions: an Analysis using the Löwdin Partitioning Technique. M. Caballero, I. de P.R. Moreira, J.M. Bofill. Mol. Phys. (2013) (accepted).
  • Competing mechanisms of catalytic H-2 formation and dissociation on ultrasmall silicate nanocluster dust grains B. Kerkeni, S. T. Bromley Mon. Not. R. Astron. Soc., 435 (2013) 1486.
  • Spin-polarized Transport through Single-molecule Magnet Mn6 Complexes E. Cremades, C. D. Pemmaraju, S. Sanvito, E. Ruiz Nanoscale5 (2013), 4751-4757.
  • The Janus-faced role of external forces in mechanochemical disulfide bond cleavage. P. Dopieralski, J. Ribas-Arino, P. Anjukandi, M. Krupicka, J. Kiss, D. Marx. Nature Chem.5 (2013) 685-691.
  • Molecular physics of elementary processes relevant to hypersonics: atom-molecule, molecule-molecule and atom-surface processes A. Laganà, A. Lombardi, F. Pirani, P. Gamallo, R.Sayós, I. Armenise, M. Cacciatore, F. Esposito, M. Rutigliano O. Plasma. Phys. J.(in press).
  • Stardust silicate nucleation kick-started by SiO + TiO2 T. P. M. Goumans, S. T. Bromley Phil. Trans. R. Soc. A 371 (2013) 20110580
  • Restricted active space spin-flip (RAS-SF) with arbitrary number of spin-flips. F. Bell, P. M. Zimmerman, D. Casanova, M. Goldey, M. Head-Gordon.. Phys. Chem. Chem. Phys. 15 (2013) 358.
  • Hetero triply-bridged dinuclear copper(II) compounds with ferromagnetic coupling: a challenge for current density functionals. N. Wannarit, C. Pakawatchai, I. Mutikainen, R. Costa, I.P.R. Moreira, S. Youngme, F. Illas. Phys. Chem. Chem. Phys. 15 (2013) 1966-1975.
  • Impact of short and long-range effects on the magnetic interactions in neutral organic radical-based materials. A. Domingo, M. Vérot, F. Mota, C. de Graaf, J.J. Novoa, V. Robert. Phys. Chem. Chem. Phys. 15 (2013) 6982-6989.
  • Atomic and electronic structure of molybdenum carbide phases: bulk and low Miller-index surfaces. J.R. dos Santos Politi, F. Viñes, J.A. Rodriguez, F. Illas. Phys. Chem. Chem. Phys. 15 (2013) 12617-12625.
  • The reaction of formaldehyde carbonyl oxide with the methyl peroxy radical and its relevance in the chemistry of the atmosphere J.M. Anglada, S. Olivella, A. Solé Phys. Chem. Chem. Phys., 15 (2013) 18921
  • Hydroxylation of silica nanoclusters (SiO2)M(H2O)N, M = 4, 8, 16, 24: stability and     sructural trends K. Jelfs, E. Flikkema, S. T. Bromley Phys. Chem. Chem. Phys.15 (2013) 20438.
  • General model for explicitly hole-doped superconductor parent compounds: Electronic structure of Ca2-xNaxCuO2Cl2 as a case study. P. Rivero, I.P.R. Moreira, R. Grau-Crespo, S.N. Datta, F. Illas. Phys. Rev. B 88 (2013) 085108.
  • Microscopic origin of n-type behavior in Si-doped AlN. D.F. Hevia, C. Stampfl, F. Viñes, F. Illas. Phys. Rev. B 88 (2013) 085202.
  • Nanofilm versus Bulk Polymorphism in Wurtzite Materials I. Demiroglu, S. T. Bromley Phys. Rev. Lett., 110 (2013) 245501.
  • Atomistic study of lipid membranes containing chloroform: looking for a lipid-mediated mechanism of anesthesia. R. Reigada. PLoS One8 (2013) e52631
  • Microwave-assisted facile and Expeditive Syntheses of Phosphorescent Cyclometallated Iridium(II) Complexes P. Alam, I. R. Laskar, C. Climent, D. Casanova, P. Alemany, M. Karanam, A. R. Choudhury, J. R. Butcher Polyhedron53 (2013), 286-294.
  • A theoretical analysis of the magnetic properties of the low dimensional bis(2-chloropyrazine)dichlorocopper(II) molecule-based magnet. S. Vela, M. Deumal, M.M. Turnbull, J.J. Novoa. Polyhedron 64 (2013) 163-171; Special Issue
  • Assigning the dimensionality in low-dimensional materials: A rigorous study of the dimensionality of (2,5-dimethylpyrazine)CuCl2. S. Vela, M. Deumal, M.M. Turnbull, J.J. Novoa. Polyhedron 52 (2013) 699-705.
  • Two isosceles coordination [Ni3] triangles strongly interacting via hydrogen bonds. G. A. Craig, O. Roubeau, J. Ribas-Arino, S. J. Teat, G. Aromí. Polyhedron 52(2013) 1369-1374.
  • Performance analysis of two quantum reaction dynamics codes: time-dependent and time-independent strategies P. Gamallo, M. González, F. Huarte-Larrañaga Proc. Comp. Sci. 18 (2013) 835
  • Water (H2O)m or Benzene (C6H6)n Aggregates to Solvate the K+? N. Faginas Lago, M. Albertí , A. Laganà, A. Lombardi Rev. Lect. Not. Comp. Sci.7971 (2013) 1.
  • Accounting for van der Waals interactions between adsorbates and surfaces in density functional theory based calculations: selected examples. J.P. Prates Ramalho, J.R.B. Gomes, F. Illas. RSC Advances 3 (2013) 13085-13100.
  • Interplay of cytoskeletal activity and lipid phase stability in dynamic protein recruitment and clustering. J. Gómez-Llobregat, J. Buceta, R. Reigada. Scientific Reports 3 (2013) 2608.
  • Theoretical and experimental study of the interaction of CO on TiC surfaces: Regular versus low coordinated sites. B.P. Mant, G.G. Asara, J.A. Anderson, N. Homs, P.R. de la Piscina, S. Rodriguez, J.M. Ricart, F. Illas. Surf. Sci. 613 (2013) 63-73.
  • Theoretical study of the F doped anatase surfaces  Y. Ortega, O. Lamiel Garcia, D. Fernandez Hevia, S. Tosoni, J. Oviedo, M. A. San-Miguel and F. Illas, Surf. Sci. 618 (2013) 154-158
  • Structure and stability of acrolein and allyl alcohol networks on Ag(111) from density functional theory based calculations with dispersion corrections R. M. Ferullo, M. M. Branda, F. Illas, Surf. Sci. 617 (2013) 175-182
  • Low-energy nanoscale clusters of (TiC)(n) n=6, 12: a structural and energetic comparison with MgO. O. Lamiel-Garcia, S.T. Bromley, F. Illas.Theo. Chem. Acc. 132 (2013) 1312 .
  • Preface to the ESPA-2012 special issue. J. J. Novoa, M. F. Ruiz-Lopez. Theor. Chem. Acc. 132, (2013) UNSP 1369.
  • Catalysis from first principles: Towards accounting for the effects of nanostructuring. S.M. Kozlov, K.M. Neyman Top. Catal. 56 (2013) 867-873.
  • The description of electronic processes inside proteins from Car–Parrinello molecular dynamics: chemical transformations. C. Rovira. WIREs Comput. Mol. Sci.3 (2013) 393.

Capítols de llibres i procediments 

  • Theory and Methods S. Alvarez, volume editor Comprehensive Inorganic Chemistry II (J. Reedijk, K, Poeppelmeier, eds.), vol.9 (2013), 501-549 (Elsevier: Amsterdam). ISBN 9780080977744. http://www.sciencedirect.com/science/referenceworks/9780080965291
  • Volume Editor’s Introduction S. Alvarez Comprehensive Inorganic Chemistry II (J. Reedijk, K, Poeppelmeier, eds.), vol.9 (2013), XXXVII-XLI (Elsevier: Amsterdam).
  • Exchange Coupling in Di- and Polynuclear Complexes E. Ruiz Comprehensive Inorganic Chemistry II (J. Reedijk, K, Poeppelmeier, eds.), vol.9 (2013), 501-549 (Elsevier: Amsterdam).
  • Potential energy surfaces for the dynamics of elementary gas-surface processes. P. Gamallo, L. Martin-Gondre, R. Sayós, C. Crespos, P. Larregaray. Dynamics of gas-surface interactions: atomic-level understanding of scattering processes at surfaces (2013) (Springer-Verlag), 25-50.
  • Activation of Gold on Metal Carbides and the Discovery of Novel Catalysts for DeSOx and HDS Reactions J.A. Rodriguez, P. Liu, K. Nakamura and F. Illas, Catalysis over gold-based materials, G. Avgouropoulos and T. Tabakova Editors, Royal Society of Chemistry, RSC Catalysis Series No. 13, (2013), ISBN: 978-1-84973-571-1
  • From static to reacting Systems on transition-metal surfaces. S.M. Kozlov, H.A. Aleksandrov, L.V. Moskaleva, M. Bäumer, K.M. Neyman.
  • Comprehensive Inorganic Chemistry and Heterogeneus Catalysis (2nd Edition), Eds. J. Reedijk, K. Poeppelmeier, Vol. 7: Surface inorganic Chemistry and Heterogeneus Catalysis, Eds. R. Schögl, J.W. Niemantsverdriet (2013) 475-503 (Elsevier, Oxford).
  • The biosynthesis of isoprenoid precursors as a new target for the development of specific antibiotics for the treatment of Helicobacter pylori associated diseases. J. Perez-Gil, J. Miralles, M. Bergua, A. Boronat, J. Rubio-Martinez, S. Imperial.
  • Helicobacter Pylori: Detection Methods, Diseases and Health Implications . Edited by M. Manfredi, Nova publishers, 2013.