Esta sección recoge los artículos científicos que han sido publicados utilizando nuestros servicios, para añadir en su publicación una referencia hacia el Servicio de Supercomputación puede utilizar el siguiente texto:
Authors would like to thank the computing time provided by the «Servicio de Supercomputación de la Universidad de Granada» (https://supercomputacion.ugr.es)
| Título | Autores | Publicación | Año | Volumen | Páginas | DOI |
|---|---|---|---|---|---|---|
| Luminescence and Excited-State Reactivity in a Heteroleptic Tricyanido Fe(III) Complex | Yating Ye, Pablo Garrido-Barros, Joël Wellauer, Carlos M. Cruz, Rodrigue Lescouëzec, Oliver S. Wenger, Juan Manuel Herrera, Juan-Ramón Jiménez | Journal of the American Chemical Society | 2024 | 146 | 954-960 | 10.1021/jacs.3c11517 |
| Selective Formation of Pd-DNA Hybrids Using Tailored Palladium-Mediated Base Pairs: Towards Heteroleptic Pd-DNA Systems | A. Pérez-Romero, M. Cano-Muñoz, C. López-Chamorro, F. Conejero-Lara, O. Palacios, J.A. Dobado, and M.A. Galindo | Angewandte Chemie International Edition | 2024 | 0 | en prensa | na |
| Multitarget-directed Gallium(III) Tris(acyl-pyrazolonate) complexes induce ferroptosis in cancer cells via dysregulation of cell redox homeostasis and inhibition of the mevalonate pathway | Romani, Daphne; Marchetti, Fabio; Di Nicola, Corrado; Cuccioloni, Massimiliano; Gong, Chunmei; Eleuteri, Anna Maria; Galindo, Agustín; Fadaei-Tirani, Farzaneh; Nabissi, Massimo; Pettinari, Riccardo | Journal of Medicinal Chemistry | 2023 | 66 | 3212 - 3225 | 10.1021/acs.jmedchem.2c01374 |
| Recent developments in amino acid-derived imidazole-, imidazolium- and N-heterocyclic carbene-carboxylate complexes | Carrasco, Carlos J.; Montilla, Francisco; Álvarez, Eleuterio; Conejo, María del Mar; Pastor, Antonio; Galindo, Agustín | Inorganica Chimica Acta | 2023 | 557 | 121717 | 10.1016/j.ica.2023.121717 |
| New amidine-benzenesulfonamides as iNOS inhibitors for the therapy of the triple negative breast cancer | M. Dora Carrion Belen Rubio-Ruiz, Francisco Franco-Montalban, Pasquale Amoia, Maria Chiara Zuccarini, Chiara De Simone, M. Encarnacion Camacho,** Rosa Amoroso,* Cristina Maccallini* | European Journal of Medicinal Chemistry | 2023 | 248 | 115112 | 10.1016/j.ejmech.2023.115112 |
| Heptagon-Containing Nanographene Embedded into [10]Cycloparaphenylene | Juan P. Mora-Fuentes, Marcos D. Codesal, Marco Reale, Carlos M. Cruz, Vicente G. Jiménez, Alice Sciortino, Marco Cannas, Fabrizio Messina, Victor Blanco, Araceli G. Campaña | Angewandte Chemie International Edition | 2023 | 62 | e202301356 | 10.1002/anie.202301356 |
| Atomically Precise Distorted Nanographenes: The Effect of Different Edge Functionalization on the Photophysical Properties down to the Femtosecond Scale | Marco Reale, Alice Sciortino, Marco Cannas, Ermelinda Maçôas, Arthur H. G. David, Carlos M. Cruz, Araceli G. Campaña, Fabrizio Messina | Materials | 2023 | 16 | 835 | 10.3390/ma16020835 |
| Bioactive imidamide-based compounds targeted against nitric oxide synthase | Fabio Arias, Francisco Franco-Montalban, Miguel Romero, Juan Duarte, M. Dora Carrion, M. Encarnacion Camacho | Bioorganic Chemistry | 2022 | 120 | 105637 | 10.1016/j.bioorg.2022.105637 |
| Quantum mechanical calculations of tautomerism, and spectroscopy of sulfonamides. | Francisco-Márquez, M., Pérez de la Luz, A., Soriano-Correa, C., Barrientos, C., Sainz-Díaz*, C.I. | Journal of Molecular Structure | 2022 | 1250 | 131717 | DOI:10.1016/j.molstruc.2021.131717 |
| Effects of the cation ordering in Mg:Al aand Zn:Al layered double hydroxides on crystallographic and spectroscopical properties by means of first principles calculations. | Pimentel, C., Pérez de la Luz, A., Hernández-Laguna, A., Sainz-Díaz, C.I. | Applied Clay Science | 2022 | 106496 | https://doi.org/10.1016/j.clay.2022.106496. | |
| Homochiral imidazolium-based dicarboxylate silver(I) compounds: synthesis, characterisation and antimicrobial properties | Carlos J. Carrasco, Francisco Montilla, Eleuterio Álvarez, Agustín Galindo, María Pérez-Aranda, Eloísa Pajuelo, Ana Alcudia | Dalton Trans. | 2022 | 51 | 5061-5071 | 10.1039/d1dt04213k |
| Antimicrobial properties of amino-acid-derived N-heterocyclic carbene silver complexes | Adrián Sánchez, Carlos J. Carrasco, Francisco Montilla, Eleuterio Álvarez, Agustín Galindo, María Pérez-Aranda, Eloísa Pajuelo, Ana Alcudia | Pharmaceutics | 2022 | 14 | 748 | 10.3390/pharmaceutics14040748 |
| Electrophilic activation of alkynes promoted by a cationic alkylidene complex of Pt(ii) | María M. Alcaide, Práxedes Sánchez, Eleuterio Álvarez, Celia Maya, Joaquín López-Serrano* and Riccardo Peloso* | Dalton Transactions | 2022 | 51 | 5777-5781 | 10.1039/D2DT00811D |
| Silibinin suppresses the hyperlipidemic effects of the ALK-tyrosine kinase inhibitor lorlatinib in hepatic cells. | Verdura, S., Encinar, J.A., Fernández-Arroyo, S., Joven, J., Cuyàs, E., Bosch-Barrera, J., Menendez, J.A. | International Journal of Molecular Sciences | 2022 | 23 | 9986 | https://doi.org/10.3390/ijms23179986 |
| Silibinin Overcomes EMT-Driven Lung Cancer Resistance to New-Generation ALK Inhibitors | Verdura, S.; Encinar, J.A.; Teixidor, E.; Segura-Carretero, A.; Micol, V.; Cuyàs, E.; Bosch-Barrera, J.; Menendez, J.A. | Cancers | 2022 | 146101 | 1-23 | https://doi.org/10.3390/cancers14246101 |
| New salicylic acid derivatives, double inhibitors of glycolate oxidase and lactate dehydrogenase, as effective agents decreasing oxalate production | Maria Dolores Moya-Garzon,, Barbara Rodriguez-Rodriguez, Cristina Martin-Higueras, Francisco Franco-Montalban, Miguel X. Fernandes, Jose A. Gomez-Vidal, Angel L. Pey, Eduardo Salido, Monica Diaz-Gavilan | European Journal of Medicinal Chemistry | 2022 | 237 | 114396 | 10.1016/j.ejmech.2022.114396 |
| Highly contorted superhelicene hits near-infrared circularly polarized luminescence | Sandra Míguez-Lago, Inês F. A, Mariz, Miguel A. Medel, Juan M. Cuerva, Ermelinda Maçôas, Carlos M. Cruz, Araceli G. Campaña | Chemical Science | 2022 | 13 | 10267-10272 | 10.1039/D2SC03452B |
| Helically Chiral Hybrid Cyclodextrin Metal–Organic Framework Exhibiting Circularly Polarized Luminescence | Masoud Kazem-Rostami, Angel Orte, Ana M. Ortuño, Arthur H. G. David, Indranil Roy, Delia Miguel, Amine Garci, Carlos M. Cruz, Charlotte L. Stern, Juan M. Cuerva, J. Fraser Stoddart | Journal of the American Chemical Society | 2022 | 144 | 9380-9389 | 10.1021/jacs.2c01554 |
| Single-stranded DNA as supramolecular template for one-dimensional palladium(II) arrays | A. Pérez-Romero, A. Domínguez-Martín, S. Galli, N. Santamaría-Díaz, O. Palacios, J.A. Dobado, M. Nyman, M.A. Galindo | Angewandte Chemie International Edition | 2021 | 133 | 10177-10182 | 10.1002/anie.202015554 |
| Evolutionary Multiobjective Optimization for Automatic Agent-Based Model Calibration: A Comparative Study | Ignacio Moya, Manuel Chica, Oscar Cordón | IEEE Access | 2021 | 9 | 55284 - 55299 | 10.1109/ACCESS.2021.3070071 |
| Arene-ruthenium(II) complexes with pyrazole-based ligands bearing a pyridine moiety: Synthesis, structure, DFT calculations, and cytotoxicity | Riccardo Pettinari, Fabio Marchetti, Alessia Tombesi, Corrado Di Nicola, Claudio Pettinari, Chuanpan Guo, Zhihong Zhang, Agustín Galindo, Farzaneh Fadaei-Tirani, Mouna Hadiji, Paul J. Dyson | Inorganica Chimica Acta | 2021 | 528 | 120610 | 10.1016/j.ica.2021.120610 |
| A photo-induced spin-crossover based molecular switching device operating at room temperature | N. Montenegro-Pohlhammer, R. Sanchez-de-Armas, C.J.Calzado, M. Borges Martinez, G.Cardenas-Giron | Dalton Trans. | 2021 | 50 | 6578-6587 | DOI https://doi.org/10.1039/D1DT00078K |
| Spin-state-dependent electrical conductivity in single-walled carbon nanotubes encapsulating spin-crossover molecules | J. Villalva, A. Develioglu, N. Montenegro-Pohlhammer, R. Sanchez-de-Armas, A. Gamonal, E. Rial, M. García-Hernández,L. Ruiz-González, J. Sánchez Costa,* C.J.Calzado*. E. Perez*, E. Burzuri* | Nat. Commun. | 2021 | 12 | 1578 | https://doi.org/10.1038/s41467-021-21791-3 |
| Theoretical inspection of the spin-crossover [Fe(tzpy)2(NCS)2] complex on Au(100) surface | C.M. Palomino, R.Sánchez-de-Armas, C.J.Calzado* | J. Phys. Chem. | 2021 | 15 | 034701 | https://doi.org/10.1063/5.0036612 |
| Deposition of the spin crossover Fe(II)¿pyrazolylborate complex on Au(111) surface at molecular level. | N. Montenegro-Pohlhammer, R. Sanchez-de-Armas, C.J. Calzado* | Chem. Eur. J 2 | 2021 | 27 | 712-723 | 10.1002/chem.202003520 |
| Synthesis, bioevaluation and docking studies of new imidamide derivatives as nitric oxide synthase inhibitors | Fabio Arias, Francisco Franco-Montalban, Miguel Romero, M. Dora Carrión, M. Encarnación Camacho | Bioorganic & Medicinal Chemistry | 2021 | 44 | 116294 | 10.1016/j.bmc.2021.116294 |
| Heptagon-Containing Saddle-Shaped Nanographenes: Self-Association and Complexation Studies with Polycyclic Aromatic Hydrocarbons and Fullerenes | Arthur H. G. David, Sandra Míguez-Lago, Carlos M. Cruz, Juan M. Cuerva, Victor Blanco, Araceli G. Campaña | Organic Materials | 2021 | 3 | 51-59 | 10.1055/s-0041-1722848 |
| Octagon-Embedded Carbohelicene as a Chiral Motif for Circularly Polarized Luminescence Emission of Saddle-Helix Nanographenes | Miguel A. Medel, Rubén Tapia, Victor Blanco, Delia Miguel, Sara P. Morcillo, Araceli G. Campaña | Angew. Chem. Int. Ed. | 2021 | 60 | 6094-6100 | 10.1002/anie.202015368 |
| In situ real-time monitoring of the mechanism of self-assembly of short peptide supramolecular polymers | Mari C. Mañas-Torres, Cristina Gila-Vilchez, Juan A. González-Vera, Francisco Conejero-Lara, Victor Blanco, Juan M. Cuerva, Modesto T. Lopez-Lopez, Angel Orte, Luis Álvarez de Cienfuegos | Mater. Chem. Front. | 2021 | 5 | 5452-5462 | 10.1039/D1QM00477H |
| Chiral Distorted Hexa-peri-hexabenzocoronenes Bearing a Nonagon-Embedded Carbohelicene | Miguel A. Medel, Carlos M. Cruz, Delia Miguel, Victor Blanco, Sara P. Morcillo, Araceli G. Campaña | Angew. Chem. Int. Ed. | 2021 | 60 | 22051-22056 | 10.1002/anie.202109310 |
| Calendar effect and in-sample forecasting | Mammen, E., Martínez-Miranda, M.D., Nielsen, J.P. and Vogt, M. | Insurance Mathematics and Economics | 2021 | 96 | 31-52 | 10.1016/j.insmatheco.2020.10.003 |
| Isomerization of a cationic (η5-C5Me5)Ir(III) complex involving remote C-C and C-H bond formation | Moreno J.J., Espada M.F., Maya C., Campos J., López-Serrano J., Macgregor S.A., Carmona E | Polyhedron | 2021 | 207 | 115363 | 10.1016/j.poly.2021.115363 |
| Dehydrogenative Double C−H Bond Activation in a Germylene-Rhodium Complex | Sonia Bajo, María M. Alcaide, Joaquín López-Serrano, Jesús Campos | Chem. Eur. J. | 2021 | 27 | 16422-16428 | doi.org/10.1002/chem.202102529 |
| Insights into the co-assemblies formed by different aromatic short-peptide amphiphiles | Cristina Gila-Vilchez, Mari C. Mañas-Torres, Juan A. González-Vera, Francisco Franco-Montalban, Juan A. Tamayo, Francisco Conejero-Lara, Juan Manuel Cuerva, Modesto T. Lopez-Lopez, Angel Orte, Luis Álvarez de Cienfuegos | Polymer Chemistry | 2021 | 12 | 6832-6845 | 10.1039/D1PY01366A |
| Morphology Alteration of Nickel Microstructures for Glycerol Electrooxidation | M.S. E. Houache, M.G. Sandoval, R. Safari, F. Gaztañaga, F. Escudero, A. Hernández-Laguna, C.I. Sainz-Díaz, G. A. Botton, P. V. Jasen, E. A. González, A. Juan, E. A. Baranova | Journal of Catalysis | 2021 | 404 | 348-361 | https://doi.org/10.1016/j.jcat.2021.10.010 |
| Studying the reactivity of alkyl substituted BODIPYs: first enantioselective addition of BODIPY to MBH carbonates | Marta Meazza, Carlos M. Cruz, Ana M. Ortuño, Juan M. Cuerva, Luis Crovetto and Ramon Rios | Chemical Science | 2021 | 12 | 4503-4508 | 10.1039/D0SC06574A |
| Thermostructural Characterization of Silicon Carbide Nanocomposite Materials via Molecular Dynamics Simulations | Ortiz-Roldan, Jose M Montero-Chacón, Francisco Garcia-Perez, Elena Calero, Sofía Ruiz-Salvador, A Rabdel Hamad, Said | Advanced Composite Materials | 2021 | 1 | 1-20 | https://doi.org/10.1080/09243046.2021.2001988 |
| 3-Amino-1-propanol and N-methylaminoethanol: coordination to zinc(II) vs. decomposition to ammonia | Nina Podjed, Petra Stare, Romana Cerc Korosec, María M. Alcaide, Joaquín López-Serrano, Barbara Modec | New Journal of Chemistry | 2020 | 44 | 387-400 | 10.1039/c9nj05005a |
| Ir-Catalyzed Atroposelective Desymmetrization of Heterobiaryls: Hydroarylation of Vinyl Ethers and Bicycloalkenes | Antonio Romero-Arenas, Valentín Hornillos, Javier Iglesias-Sigüenza, Rosario Fernández,* Joaquín López-Serrano,* Abel Ros,* José M. Lassaletta* | J. Am. Chem. Soc. | 2020 | 142 | 2628-2639 | 10.1021/jacs.9b12858 |
| Orthogonal cell polarity imaging by multiparametric fluorescence microscopy | M.C.Gonzalez-Garcia, T. Peña-Ruiz, P. Herrero-Foncubierta, D. Miguel, M.D. Giron, R. Salto, J.M. Cuerva, A. Navarro, E. Garcia-Fernandez, A. Orte | Sensors and Actuators B: Chemical | 2020 | 309 | 127770 | 10.1016/j.snb.2020.127770 |
| Understanding the Driving Mechanisms of Enhanced Luminescence Emission of Oligo(styryl)benzenes and Tri(styryl)-s-triazine | R.Dominguez, M. Moral, M.P. Fernandez-Liencres, T. Peña-Ruiz, J. Tolosa, J. Canales-Vazquez, J.C. Garcia-Martinez, A. Navarro, Andres Garzon-Ruiz | Chemistry. A European Journal | 2020 | 26 | 1-13 | 10.1002/chem.201905336 |
| A Highly Substituted Pyrazinophane Generated from a Quinoidal System via a Cascade Reaction | C. Anderson, J. Liang, S. Teat, A.Garzon, D.P Nenon, A.Navarro, Y. Liu | Chemical Communications | 2020 | 0 | 0 | 10.1039/D0CC00916D |
| DFT study of electronic and redox properties of TiO2 supported on olivine for modelling regolith on Moon and Mars conditions. | Escamilla-Roa, E., Zorzano, M.P., Martin-Torres, J., Hernández-Laguna, A., Sainz-Díaz, C.I. | Planetary and Space Science | 2020 | 180 | 104760 | 10.1016/j.pss.2019.104760 |
| Adsorption of tamoxifen in montmorillonite surface | Silva, D.T.C., Fonseca, M.G., Borrego-Sánchez, A., Soares, M.F.R., Viseras, C., Sainz-Díaz, C.I., Soares-Sobrinho, J.L. | Microporous and Macroporous Materials | 2020 | 297 | 1 | 10.1016/j.pss.2019.104760 |
| Adsorption capacity evaluation of zeolites as carrier of isoniazid | Souza, I. , Viseras, C., Sainz-Díaz, C.I., Pergher, S. | Microporous and Macroporous Materials | 2020 | 292 | 109733 | 10.1016/j.micromeso.2019.109733 |
| Theoretical and experimental investigation on the intercalation of metformin into layered clay minerals | Rebitski, E.P., Darder, M., Sainz-Diaz, C.I., Carraro, R., Aranda, P., Ruiz-Hitzky, E. | Applied Clay Science | 2020 | 186 | 105418 | 10.1016/j.clay.2019.105418 |
| Thread based microfluidic platform for urinary creatinine analysis | Manuel J Arroyo, Miguel M Erenas, Ignacio de Orbe-Payá, Kevin Cantrell, Jose A Dobado, Pablo Ballester, Pascal Blondeau, Alfonso Salinas-Castillo, Luis Fermín Capitán-Vallvey | Sensors and Actuators B: Chemical | 2020 | 305 | 127407 | 10.1016/j.snb.2019.127407 |
| A Comparative Structural Study of Metal-Mediated Base Pairs Formed Outside and Inside DNA Molecules | Alicia Dominguez-Martin, Simona Galli, Jose A. Dobado, Noelia Santamaría-Díaz, Antonio Pérez-Romero, Miguel Angel Galindo | Inorganic Chemistry | 2020 | 59 | 9325–9338 | 10.1021/acs.inorgchem.0c01210 |
| Evidence for Genuine Bimetallic Frustrated Lewis Pair Activation of Dihydrogen with Gold(I)/Platinum(0) Systems | Hidalgo, N., Moreno, J.J., Pérez-Jiménez, M., Maya, C., López-Serrano, J., Campos, J. | Chem. Eur. J. | 2020 | 26 | 5982-5993 | 10.1002/chem.201905793 |
| From cyclic amines and acetonitrile to amidine zinc(ii) complexes | Podjed, N., Modec, B., Alcaide, M.M., López-Serrano, J. | RSC Advances | 2020 | 10 | 18200-18221 | 10.1039/D0RA03192E |
| Homochiral imidazolium-based dicarboxylate compounds: structure and solution behaviour. | Pedro Caballero, Rosario M. P. Colodrero, María del Mar Conejo, Antonio Pastor, Eleuterio Álvarez, Francisco Montilla, Carlos J. Carrasco, Antonio I. Nicasio, Agustín Galindo | Inorganica Chimica Acta | 2020 | 513 | 119923 | 10.1016/j.ica.2020.119923 |
| Spiro[1,2]oxaphosphetanes of Nonstabilized and Semistabilized Phosphorus Ylide Derivatives: Synthesis and Kinetic and Computational Study of Their Thermolysis | Jesús García López, Pablo M. Sansores Peraza, María JoséIglesias, Laura Roces, Santiago García-Granda, y Fernando López Ortiz* | The Journal of Organic Chemistry | 2020 | 85 | 14570−14591 | https://dx.doi.org/10.1021/acs.joc.0c01270 |
| Tuning Activity and Selectivity during Alkyne Activation by Gold(I)/Platinum(0) Frustrated Lewis Pairs | Hidalgo, N., Moreno, J.J., Pérez-Jiménez, M., Maya, C., López-Serrano, J., Campos, J. | Organometallics | 2020 | 39 | 2534-2544 | doi.org/10.1021/acs.organomet.0c00330 |
| Metal-only Lewis Pairs of Rhodium with s, p and d-Block Metals | Sonia Bajo, Macarena G. Alférez, María M. Alcaide, Joaquín López-Serrano and Jesús Campos | Chem. Eur. J. | 2020 | 26 | 16833 –16845 | 10.1002/chem.202003167 |
| Reversible Interlayer Sliding and Conductivity Changes in Adaptive Tetrathiafulvalene-Based Covalent Organic Frameworks | S.Cai,B.Sun,X. Li, Y.Yan, Amparo Navarro, A. Garzón-Ruiz, H.Mao, R.Chatterjee, J.Yano, C.Zhu, J.A. Reimer, S. Zheng, J.Fan, W.Zhang, Y. Liu | ACS Applied Materials & Interfaces | 2020 | 12 | 19054-19061 | https://dx.doi.org/10.1021/acsami.0c03280 |
| Unraveling the photophysical and semiconducting properties of color converter luminogens with aggregation induced emission characteristics | M.P.Fernández-Liencres, M.Moral, Z. Yilin, T.Han, M.Jiang,A.Garzón-Ruiz, Amparo Navarro,K.S.Wong, B.Z.Tang | Journal of Materials Chemistry C | 2020 | 8 | 16757-16768 | 10.1039/d0tc03632c |
| Design and Synthesis of Annulated Benzothiadiazoles via Dithiolate Formation for Ambipolar Organic Semiconductors | M.A. Kolaczkowski, A. Garzón-Ruiz, A. Patel, Z.Zhao, Y. Guo, Amparo Navarro, Y. Liu | ACS Applied Materials & Interfaces | 2020 | 12 | 53328-53341 | https://dx.doi.org/10.1021/acsami.0c16056 |
| Shedding Light on the Origin of Solid-State Luminescence Enhancement in Butterfly Molecules | A.Sánchez-Ruiz, J.Rodriguez-Lopez, A.Garzón-Ruiz, S.B. Jimenez-Pulido,N.A. Illán-Cabeza,Amparo Navarro, J.C.García-Martínez | Chemistry. A European Journal | 2020 | 26 | 13990-14001 | https://doi.org/10.1002/chem.202002920 |
| Simple perylene diimide cyclohexane derivative with combined CPL and TPA properties | P. Reiné, A. M. Ortuño, I. Mariz, M. Ribagorda, J. M. Cuerva, A. G. Campaña, E. Maçôas, D. Miguel | Frontiers in Chemistry | 2020 | 8 | 306 | 10.3389/fchem.2020.00306 |
| Two‐Photon Absorption Enhancement by the Inclusion of a Tropone Ring in Distorted Nanographene Ribbons | S. Castro-Fernández, C. M. Cruz, I. F. A. Mariz, I. R. Márquez, V. G. Jiménez, L. Palomino-Ruiz, J. M. Cuerva, E. Maçôas, A. G. Campaña. | Angewandte Chemie International Edition | 2020 | 59 | 7139-7145 | 10.1002/anie.202000105 |
| A Macrocycle Based on a Heptagon‐Containing Hexa‐peri‐hexabenzocoronene | V. G. Jiménez, A. H. G. David, J. M. Cuerva, V. Blanco, A. G. Campaña | Angewandte Chemie International Edition | 2020 | 59 | 15124-15128 | 10.1002/anie.202003785 |
| Dibenzocycloheptatriene as end-group of Thiele and tetrabenzo-Chichibabin hydrocarbons | V. G. Jiménez, P. Mayorga Burrezo, V. Blanco, V. Lloveras, C. J. Gomez Garcia, T. Šolomek J. M. Cuerva, J. Veciana, A. G. Campaña. | Chemical Communications | 2020 | 56 | 12813-12816 | 10.1039/D0CC04489J |
| Lysine as Size-Control Additive in a Bioinspired Synthesis of Pure Superparamagnetic Magnetite Nanoparticles | Rafael Contreras-Montoya, Ylenia Jabalera, Víctor Blanco, Juan Manuel Cuerva, Concepcion Jimenez-Lopez, Luis Alvarez de Cienfuegos | Crystal Growth & Design | 2020 | 20 | 533-542 | 10.1021/acs.cgd.9b00169 |
| 3D hydrodynamical simulations of a brown dwarf accretion by a main-sequence star and its impact on the surface Li abundance . | C. Abia, R.M. Cabezón, I. Domínguez | Memorie della Societa Astronomica Italiana | 2020 | 91 | 48 | https://ui.adsabs.harvard.edu/abs/2020MmSAI..91...48A/abstract |
| Photocatalytic oxidation of diuron using nickel organic xerogel under simulated solar irradiation | M. V. López-Ramón, J. Rivera-Utrilla, M. Sánchez-Polo, A. M. S. Polo, Antonio J. Mota, F. Orellana-García, M. A. Álvarez | Sci. Total Environ. | 2019 | 650 | 1207-1215 | 10.1016/j.scitotenv.2018.09.113 |
| Tuning the Crystal Packing and Semiconductor Electronic Properties of 7,7’-Diazaisoindigo by Side-Chain Length and Halogenation | Mónica Moral, Amparo Navarro, Andrés Garzón-Ruiz, Eva M. García-Frutos | Journal of Physical Chemistry C | 2019 | 123 | 153-164 | 10.1021/acs.jpcc.8b09633 |
| Photophysical features and semiconducting properties of propeller-shaped oligo(styryl)benzenes | Mónica Moral,Rocío Domínguez, M.Paz Fernández-Liencres,Andrés Garzón-Ruiz,Joaquín C. García-Martínez,Amparo Navarro | The Journal of Chemical Physics | 2019 | 150 | 064309(1-14) | 10.1063/1.5079935 |
| The extra virgin olive oil phenolic oleacein is a dual substrate-inhibitor of catechol-O-methyltransferase. | Cuyàs, E., Verdura, S., Lozano-Sánchez, J., Viciano-Gonzalo, I., Llorach-Parés, L., Bosch-Barrera, J., Brunet, J., Nonell-Canals, A., Segura-Carretero, A., Sánchez-Martínez, M., Encinar, J.A., and Menendez, J.A. | Food and Chemical Toxicology | 2019 | 128 | 35-45 | 10.1016/j.fct.2019.03.049 |
| New bioinspired luminescent compounds based on lumazine: A photophysical study in solution and solid state | Amparo Navarro, Sonia B. Jiménez-Pulido, Andrés Garzón-Ruizc, Nuria A. Illán-Cabeza, Francisco Hueso-Ureña, Alfonso Alejo-Armijob, Miguel N. Moreno-Carretero | Dyes and Pigments | 2019 | 168 | 281-294 | 10.1016/j.dyepig.2019.04.066 |
| Evaluating stereoelectronic properties of bulky dialkylterphenyl phosphine ligands | Mario Marín, Juan J. Moreno, María M. Alcaide, Eleuterio Álvarez, Joaquín López-Serrano, Jesús Campos, M. Carmen Nicasio, Ernesto Carmona | Journal of Organometallic Chemistry | 2019 | 896 | 120-128 | doi.org/10.1016/j.jorganchem.2019.06.003 |
| Extra Virgin Olive Oil Contains a Phenolic Inhibitor of the Histone Demethylase LSD1/KDM1A | Elisabet Cuyàs, Juan Gumuzio, Jesús Lozano-Sánchez, David Carreras, Sara Verdura, Laura Llorach-Parés, Melchor Sanchez-Martinez, Elisabet Selga, Guillermo J. Pérez, Fabiana S. Scornik, Ramon Brugada, Joaquim Bosch-Barrera, Antonio Segura-Carretero, Ángel G. Martin, José Antonio Encinar and Javier A. Menendez | Nutrients | 2019 | 11(7) | 1656 | https://doi.org/10.3390/nu11071656 |
| A theoretical study of the bonding capabilities of the zinc-zinc double bond | Regla Ayala, Agustín Galindo. | Int. J. Quantum Chem. | 2019 | 119 | e25823 | 10.1002/qua.25823 |
| Synthesis and structural characterization of homochiral coordination polymers with imidazole-based monocarboxylate ligands | Elena Borrego, Antonio I. Nicasio, Eleuterio Álvarez, Francisco Montilla, José M. Córdoba, Agustín Galindo | Dalton Trans. | 2019 | 48 | 8731-8739 | 10.1039/c9dt01237k |
| Combining Defects in a Single Nanographene: A Fully Helical Saddle Ribbon | Carlos M. Cruz, Silvia Castro-Fernández, Ermelinda Maçôas, Alba Millán, Araceli G. Campaña | Synlett | 2019 | 30 | 997-1002 | 10.1055/s-0037-1611729 |
| A Triskelion‐Shaped Saddle–Helix Hybrid Nanographene | Carlos M. Cruz Dr. Irene R. Márquez Dr. Silvia Castro‐Fernández Prof. Juan M. Cuerva Dr. Ermelinda Maçôas Dr. Araceli G. Campaña | Angew. Chem. Int. Ed. | 2019 | 58 | 8068-8072 | 10.1002/anie.201902529 |
| Chiral double stapled o-OPEs with intense circularly polarized luminescence | Pablo Reine, Araceli G. Campaña, Luis Alvarez de Cienfuegos, Victor Blanco, Sergio Abbate, Antonio J. Mota, Giovanna Longhi, Delia Miguel, Juan M. Cuerva | Chem. Commun. | 2019 | 55 | 10685--10688 | 10.1039/c9cc04885e |
| O-H and (CO)N-H bond weakening by coordination to Fe(II) | Sandra Resa, Alba Millán, Noelia Fuentes, Luis Crovetto, M. Luisa Marcos, Luis Lezama, Duane Choquesillo-Lazarte, Victor Blanco, Araceli G. Campaña, Diego J. Cárdenas, Juan M. Cuerva | Dalton Trans. | 2019 | 48 | 2179-2189 | 10.1039/c8dt04689a |
| Thinking Outside the “Blue Box”: Induced Fit within a Unique Self- Assembled Polycationic Cyclophane | Arturo Blanco-Gómez, Ángel Fernández-Blanco, Victor Blanco, Jaime Rodríguez, Carlos Peinador, Marcos D. García | J. Am. Chem. Soc. | 2019 | 141 | 3959−3964 | 10.1021/jacs.8b12599 |
| Entanglement between two spatially separated ultracold interacting Fermi gases | P. Alexander Bouvrie, Eloisa Cuestas, Itzhak Roditi, and Ana P. Majtey | PHYSICAL REVIEW A | 2019 | 99 | 063601 | 10.1103/PhysRevA.99.063601 |
| Molecular interferometers: effects of Pauli principle on entangled- enhanced precision measurements | P Alexander Bouvrie, Ana P Majtey, Francisco Figueiredo and Itzhak Roditi | New Journal of Physics | 2019 | 21 | 123011 | doi.org/10.1088/1367-2630/ab5b2f |
| Synthesis and Characterization of a Click-Assembled 18-Atom Macrocycle That Displays Selective AXL Kinase Inhibitory Activity | Olga Cruz-López, Carolin Temps, Beatrice Longo, Samuel H. Myers, Francisco Franco-Montalban, and Asier Unciti-Broceta | ACS Omega | 2019 | 4 | 21620−21626 | 10.1021/acsomega.9b03525 |
| Compressibility of 2M1 muscovite-phlogopite series minerals | Hernández-Laguna, A., Pérez del Valle, C., Hernández-Haro, N., Ortega-Castro, J., Muñoz-Santiburcio, D., Vidal, I., Sánchez-Navas, A., Escamilla-Roa, E., Sainz-Díaz, C.I. | Journal of Molecular Modeling | 2019 | 25 | 341 | 10.1007/s00894-019-4218-x |
| Design and characterization of tuberculostatic hybrid based on interaction of ethambutol with raw palygorskite | L. Meirelles, E. Carazo, A. Borrego-Sánchez, R. Barbosa, T. Moura, C. Aguzzi, C. I. Sainz-Diaz, C. Viseras, F. Nervo Raffin | Applied Clay Science | 2019 | 181 | 105213 | 10.1016/j.clay.2019.105213 |
| DFT Study of Ni Segregation at the B2-NiTi(110)/rutile-TiO2(110) interface | Juan, J., Orazi, V., Sandoval, M., Bechthold, P., Hernández-Laguna, A., Sainz-Díaz, C.I., González, E.A., Jenko, M., Jasen, P.V. | Applied Surface Science | 2019 | 489 | 287-296 | /10.1016/j.apsusc.2019.05.336 |
| Trapping at the solid-gas interface: selective adsorption of naphthalene by montmorillonite intercalated with a Fe(III)-phenanthroline complex | Castellini, E., Malferrari, D., Bernini, F., Sainz-Díaz, C.I., Mucci, A., Sola, M., Brigatti, M.F., Borsari, M. | ACS OMEGA | 2019 | 4 | 7785-7794 | 10.1021/acsomega.9b00335 |
| Theoretical study of the gas-phase thermolysis reaction of 3,6-dimethyl-1,2,4,5-tetroxane. Methyl and axial-equatorial substitution effects. | Gordon, A.G., Pila, A.N., Profeta, M.I., Romero, J.M., Jorge, L.C., Jorge. N.L., Sainz-Díaz, C.I., Grand, A., Hernández-Laguna, A. | Journal of Molecular Modeling | 2019 | 25 | 217 | 10.1007/s00894-019-4092-6 |
| Adsorption of 5-aminosalicylic acid on kaolinite surfaces at molecular level | Awad, M., Escamilla-Roa, E., Borrego-Sánchez, A., Viseras, C., Hernández-Laguna, A., Sainz-Díaz, C.I. | Clay Minerals | 2019 | 54 | 49-56 | 10.1180/clm.2019.13 |
| Copper–nitroxide based breathing crystals: a unified mechanism of gradual magnetostructural transition supported by quantum chemistry calculations | R. Sánchez de Armas, N. Cruz Hernandez, C.J. Calzado | Inorg. Chem. Front. | 2019 | 6 | 1228 | 10.1039/c9qi00129h |
| Elucidating the Electronic Structure and Magnetic and Conducting Properties of μ‑Oxo Mn-phthalocyanine [MnPc(CN)]2O Complex | N. Montenegro-Pohlhammer, R. Sanchez de Armas, G. Cardenas-Jiron, C.J.Calzado | J. Phys. Chem. C | 2019 | 123 | 28359-28369 | 10.1021/acs.jpcc.9b08046 |
| Theoretical study of the photoconduction and photomagnetism of the BPY[Ni(dmit)2]2 molecular crystal | J. Zapata-Rivera, R. Sanchez de Armas, C.J. Calzado | Dalton Trans. | 2019 | 48 | 13789 | 0.1039/c9dt03102b |
| Chiral double stapled o-OPEs with intense circularly polarized luminescence | P. Reiné, A. G. Campaña, L. Álvarez de Cienfuegos, V. Blanco, S. Abbate, A. J. Mota, G. Longhi, D. Miguel, J. M. Cuerva | Chemical Communications | 2019 | 55 | 10685-10688 | 10.1039/c9cc04885e |
| Tuning of the Self‐Threading of Ring‐in‐Ring Structures in Aqueous Media | Iago Neira, Cristina Alvariño, Olaya Domarco, Víctor Blanco, Carlos Peinador, Marcos D. García, José M. Quintela | Chemistry - A European Journal | 2019 | 25 | 14834-14842 | 10.1002/chem.201902851 |
| A DFT-based simulated annealing method for the optimization of global energy in zeolite framework systems: Application to natrolite, chabazite and clinoptilolite | Mohamed Abatal, A. Rabdel Ruiz-Salvador, Norge Cruz Hernández | Microporous and Mesoporous Materials | 2019 | 294 | 109885 | 10.1016/j.micromeso.2019.109885 |
| Multiplicative local linear hazard estimation and best one-sided cross-validation | Gámiz, M.L. Martínez-Miranda, M.D. and Nielsen,J.P. | Journal of Machine Learning Research | 2019 | 20 | 1-19 | 1533-7928 |
| A detailed study of intermolecular interactions, electronic and vibrational properties of the metal complex bis(uracilato)diammine copper(ii) dihydrate | M.Gramajo Feijoo, M.P. Fernández-Liencres, D.M.Gil, M.I.Gómez, A.Ben Altabef, A.Navarro, M.E.Tuttolomondo | Journal of Molecular Structure | 2018 | 1155 | 424-433 | 10.1016/j.molstruc.2017.11.030 |
| Silver(I)-mediated base pairs in DNA sequences containing 7-Deazaguanine/Cytosine Base Pairs: Towards DNA with entirely metallated Watson-Crick base pairs | J.M. Méndez-Arriaga, C.R. Maldonado, J.A. Dobado, M.A. Galindo | Chemistry - A European Journal | 2018 | 24 | 1-8 | 10.1002/chem.201705131 |
| Oxidoperoxidomolybdenum(VI) complexes with acylpyrazolonate ligands: synthesis, structure and catalytic properties | Emilio Begines, Carlos J. Carrasco, Francisco Montilla, Eleuterio Álvarez, Fabio Marchetti, Riccardo Pettinari, Claudio Pettinari, Agustín Galindo. | Dalton Trans. | 2018 | 47 | 197–208 | 10.1039/C7DT03939E |
| Synthesis, structure and properties of nickel and copper complexes containing N,O-hydrazone Schiff base ligand | María del Mar Conejo, Jorge Cantero, Antonio Pastor, Eleuterio Álvarez, Agustín Galindo. | Inorganica Chimica Acta | 2018 | 470 | 113–118 | 10.1016/j.ica.2017.04.064 |
| The dizinc bond as a ligand: a computational study of elongated dizinc bonds | Regla Ayala, Agustín Galindo, Ernesto Carmona | Inorganica Chimica Acta | 2018 | 470 | 197-205 | 10.1016/j.ica.2017.06.008 |
| On the magnetic coupling and spin crossover behavior in complexes containing the head-to-tail [FeII2(μ-SCN)2] bridging unit: A magneto-structural experimental and theoretical study | Cle Donacier Mekuimemba, Françoise Conan, Antonio J. Mota, Maria A. Palacios, Enrique Colacio, Smail Triki | Inorg. Chem. | 2018 | 57 | 2184-2192 | 10.1021/acs.inorgchem.7b03082 |
| Sulfoxide-Induced Homochiral Folding of ortho-Phenylene Ethynylenes (o-OPEs) by Silver(I) Templating: Structure and Chiroptical Properties | Sandra Resa, Delia Miguel, Santiago Guisán-Ceinos, Giuseppe Mazzeo, Duane Choquesillo-Lazarte, Sergio Abbate, Luis Crovetto, Diego J. Cárdenas, M. Carmen Carreño, María Ribagorda, Giovanna Longhi, Antonio J. Mota, Luis Álvarez de Cienfuegos, Juan M. Cuerva | Chem. Eur. J. | 2018 | 24 | 2653–2662 | 10.1002/chem.201704897 |
| Reaction of a series of ZnL, CuL and NiL Schiff base and non-Schiff base complexes with MCl2 salts (M = Cu, Ni, Mn). Syntheses, structures, magnetic properties and DFT calculations | Jean-Pierre Costes, Carine Duhayon, Laure Vendier, Antonio J. Mota | New J. Chem. | 2018 | 42 | 3683-3691 | 10.1039/C7NJ04347C |
| Dynamic Kinetic Resolution of Heterobiaryl Ketones by Zinc- Catalyzed Asymmetric Hydrosilylation | Valentin Hornillos, José A. Carmona, Abel Ros, Javier Iglesias-Sigüenza, Joaquín López-Serrano, Rosario Fernández, José M. Lassaletta | Angewandte Chemie Int. Ed. | 2018 | 57 | 3777-3781 | 10.1002/anie.201713200 |
| Forces and electronic transport in a contact formed by a graphene tip and a defective MoS2 monolayer: a theoretical study | Felice, D.; Dappe, Y.J.; Gonzalez, C. | Nanotecnology | 2018 | 29 | 225704 | https://doi.org/10.1088/1361-6528/aab5fc |
| Molecular detection on a defective MoS2 monolayer by simultaneous conductance and force simulations | Gonzalez, C.; Dappe, Y.J. | Physical Review W | 2018 | 95 | 214105 | 10.1103/PhysRevB.95.214105 |
| Individual and simultaneous degradation of the antibiotics sulfamethoxazole and trimethoprim in aqueous solutions by Fenton, Fenton-like and photo-Fenton processes using solar and UV radiations | J. I. Martínez-Costa, J. Rivera-Utrilla, R. Leyva-Ramos, M. Sánchez-Polo, I. Velo-Gala, A. J. Mota | J. Photochem. Photobiol. A: Chemistry | 2018 | 360 | 95-108 | 10.1016/j.jphotochem.2018.04.014 |
| Secondary Oxide Phosphines to Promote Tandem Acyl–Alkyl Coupling/Hydrogen Transfer to Afford (Hydroxyalkyl)rhodium Complexes. Theoretical and Experimental Studies | Virginia San Nacianceno, Lourdes Ibarlucea, Claudio Mendicute-Fierro, Antonio Rodríguez-Diéguez, José M. Seco, Antonio J. Mota, María A. Garralda | Inorg. Chem. | 2018 | 57 | 5307-5319 | 10.1021/acs.inorgchem.8b00320 |
| Butterfly Molecules: How Cross-Stacking Determines Bulk Physical Properties | M.P.Fernández-Liencres, T.Peña-Ruiz, J.M.Granadino-Roldán, M.Moral, A. Valenzuela Pereira, A.Garzón-Ruiz, A.Navarro | J. Phys. Chem. C | 2018 | 122 | 12002-12014 | 10.1021/acs.jpcc.8b02625 |
| Influence of Functionalized η6-Arene Rings on Ruthenium(II) Curcuminoids Complexes | Riccardo Pettinari, Agnese Petrini, Fabio Marchetti, Corrado Di Nicola, Rosario Scopelliti, Tina Riedel, Laure D. Pittet, Agustín Galindo, Paul J. Dyson | ChemistrySelect | 2018 | 3 | 6696 – 6700 | 10.1002/slct.201801201 |
| Molybdenum-Catalyzed Enantioselective Sulfoxidation Controlled by a Nonclassical Hydrogen Bond between Coordinated Chiral Imidazolium-Based Dicarboxylate and Peroxido Ligands | Carlos J. Carrasco, Francisco Montilla, Agustín Galindo | Molecules | 2018 | 23(7) | 1595 | 10.3390/molecules23071595 |
| Charge carrier transport across grain boundaries in graphene | J.P. Méndez, F. Arca, J.Ramos, M.Ortiz, M.P.Ariza | Artículo | 2018 | 154 | 8 | 10.1016/j.actamat.2018.05.019 |
| Unraveling the Main Chain and Side Chain Effects on Thin Film Morphology and Charge Transport in Quinoidal Conjugated Polymers | X.Liu, B.He, A.Garzón‐Ruiz, A.Navarro, T.L.Chen, M.A.Kolaczkowski, S.Feng, L.Zhang, C.A.Anderson, J.Chen, Y.Liu | Advanced Functional Materials | 2018 | 28 | 1801874(1-12) | 10.1002/adfm.201801874 |
| Reactivity of a trans-[H–MoSMo–H] unit towards alkenes and alkynes: bimetallic migratory insertion, H-elimination and other reactions | Marina Pérez-Jiménez, Jesús Campos, Joaquín López-Serrano and Ernesto Carmona | Chemical Communications | 2018 | 54 | 9186-9189 | 10.1039/c8cc04945a |
| Representation of complex probabilities and complex Gibbs sampling | L. L. Salcedo | EPJ Web of Conferences | 2018 | 175 | 07037, 1-8 | 10.1051/epjconf/201817507037 |
| Inspecting the Electronic Architecture and Semiconducting Properties of a Rosette-Like Supramolecular Columnar Liquid Crystal | B.Feringán, C.L. Folcia, R.Termine, A. Golemme, J.M. Granadino-Roldán, A. Navarro, J.L. Serrano, R.Giménez, T.Sierra | Chemistry. A European Journal | 2018 | 24 | 1-6 | 10.1002/chem.201804748 |
| OFF/ON switching of circularly polarized luminescence by oxophilic interaction of homochiral sulfoxyde-containing o-OPEs with metal cations | Pablo Reiné, Ana M. Ortuño, Sandra Resa, Luis Álvarez de Cienfuegos, Victor Blanco, M. José Ruedas-Rama, Giuseppe Mazzeo, Sergio Abbate, Andrea Lucotti, Matteo Tommasini, Santiago Guisán-Ceinos, Maria Ribagorda, Araceli G. Campaña, Antonio Mota, Giovanna Longhi, Delia Miguel, Juan M. Cuerva | Chem. Commun. | 2018 | 54 | 13985-13988 | 10.1039/C8CC08395A |
| Synthesis of dicarbonylhydrazones by aerobic manganese-catalysed oxidation. | Carlos J. Carrasco, Francisco Montilla, Eleuterio Álvarez, Agustín Galindo. | Adv. Synth. Catal. | 2018 | 360 | 3768 – 3780 | 10.1002/adsc.201800601 |
| Ligand Design for N,O- or N,N-Pyrazolone-Based Hydrazones Ruthenium(II)-Arene Complexes. | Riccardo Pettinari, Fabio Marchetti, Corrado di Nicola, Agustín Galindo, Riccardo Petrelli, Loredana Cappellacci, Massimiliano Cuccioloni, Laura Bonfili, Anna Maria Eleuteri, M. Fátima C. Guedes da Silva, Armando J. L. Pombeiro. | Inorganic Chemistry | 2018 | 57 | 14123−14133 | 10.1021/acs.inorgchem.8b01935 |
| Undecabenzo[7]superhelicene: A Helical Nanographene Ribbon as a Circularly Polarized Luminescence Emitter | Carlos M. Cruz, Silvia Castro-Fernández, Ermelinda Macoas, Juan M. Cuerva, Araceli G. Campaña | Angew. Chem. Int. Ed. | 2018 | 57 | 14782-14786 | 10.1002/anie.201808178 |
| Enantiopure distorted ribbon-shaped nanographene combining two-photon absorptionbased upconversion and circularly polarized luminescence | Carlos M. Cruz, Irene R. Márquez, Ines F. A. Mariz, Víctor Blanco, Carlos Sánchez-Sánchez, Jesús M. Sobrado, Jose A. Martín-Gago, Juan M. Cuerva, Ermelinda Maçoas, Araceli G. Campana | Chemical Science | 2018 | 9 | 3917–3924 | 10.1039/c8sc00427g |
| Circularly Polarized Luminescence of Boronic Acid-Derived Salicylidenehydrazone Complexes Containing Chiral Boron as Stereogenic Unit | Vicente G. Jiménez, Fabio M. F. Santos, Silvia Castro-Fernández, Juan M. Cuerva, Pedro M. P. Gois, Uwe Pischel, Araceli G. Campaña | J. Org. Chem. | 2018 | 83 | 14057-14062 | 10.1021/acs.joc.8b01844 |
| Aggregation-induced emission of [3]cumulenes functionalized with heptagon-containing polyphenylenes | Vicente G. Jiménez, Rubén Tapia, Miguel A. Medel, Inés F. A. Mariz, Tânia Ribeiro, Victor Blanco, Juan M. Cuerva, Ermelinda Maçôas, Araceli G. Campaña | Chem. Commun. | 2018 | 54 | 3359--3362 | 10.1039/c8cc00386f |
| Experimental and Theoretical Investigation of Intercalation and Molecular Structure of Organo-Iron Complexes in Montmorillonite | Sainz-Díaz, C.I., Bernini, F., Castellini, E., Malferrari, D., Borsari, M., Mucci, A., Brigatti, | Journal of Physical Chemistry C | 2018 | 122 | 25422-25432 | 10.1021/acs.jpcc.8b07912 |
| Fitting electron density as a physically sound basis for the development of interatomic potentials of complex alloys | Jose M. Ortiz-Roldan, Gustavo Esteban-Manzanares,Sergio Lucarini, Sofía Calero, Javier Segurado, Francisco Montero-Chacón, A. Rabdel Ruiz-Salvador and Said Hamad | Phys.Chem.Chem.Phys. | 2018 | 20 | 18647-18656 | 10.1039/c8cp02591f |
| Chemical Engineering of Photoactivity in Heterometallic Titanium– Organic Frameworks by Metal Doping | Javier Castells-Gil+, Natalia M. Padial+, Neyvis Almora-Barrios, Josep Albero, A. Rabdel Ruiz-Salvador, Javier Gonz#lez-Platas, Hermenegildo Garc&a, and Carlos Martí-Gastaldo | Angew. Chem. Int. Ed. | 2018 | 57 | 8453 –8457 | 10.1002/anie.201802089 |
| The Si–Ge substitutional series in the chiral STW zeolite structure type | Reus T. Rigo, Salvador R. G. Balestra, Said Hamad, Rocio Bueno-Perez, A. Rabdel Ruiz-Salvador, Sofía Calero and Miguel A. Camblor | J. Mater. Chem. A, | 2018 | 6 | 15110-15122 | 10.1039/c8ta03879a |
| Seasonal and Sexual Differences in the Microbiota of the Hoopoe Uropygial Secretion | Sonia M Rodríguez-Ruano, Manuel Martín-Vivaldi, Juan M Peralta-Sánchez, Ana B García-Martín, Ángela Martínez-García, Juan J Soler, Eva Valdivia, Manuel Martínez-Bueno | Genes | 2018 | 9(8) | 407 | doi: 10.3390/genes9080407 |
| Synthesis and structure of nickel and copper complexes containing the N-allyl-o-hydroxyacetophenoniminato ligand and the application of copper complex as catalyst for aerobic alcohol oxidations | María del Mar Conejo, Paloma Ávila, Eleuterio Álvarez, Agustín Galindo | Inorganica Chimica Acta | 2017 | 455 | 638–644 | http://dx.doi.org/10.1016/j.ica.2016.04.051 |
| Synthesis and structural characterization of homochiral 2D coordination polymers of zinc and copper with conformationally flexible ditopic imidazolium-based dicarboxylate ligands. | Antonio I. Nicasio, Francisco Montilla, Eleuterio Álvarez, Rosario P. Colodrero, Agustín Galindo. | Dalton Trans. | 2017 | 46 | 471-482 | 10.1039/c6dt03712g |
| Synthesis and structural characterization of homochiral 2D coordination polymers of zinc and copper with conformationally flexible ditopic imidazolium-based dicarboxylate ligands. | Antonio I. Nicasio, Francisco Montilla, Eleuterio Álvarez, Rosario P. Colodrero, Agustín Galindo. | Dalton Trans. | 2017 | 46 | 471-482 | 10.1039/c6dt03712g |
| Composite-boson approach to molecular Bose-Einstein condensates in mixtures of ultracold Fermi gases. | P. A. Bouvrie, M.C. Tichy and I. Roditi. | Physical Review A | 2017 | 95 | 023617 | 10.1103/PhysRevA.95.023617 |
| Effect of the Aggregation on the Photophysical Properties of a Blue-Emitting Star-Shaped Molecule Based on 1,3,5-Tristyrylbenzene | Andrés Garzón,M. Paz Fernández-Liencres,Mónica Moral,Tomás Peña-Ruiz,Amparo Navarro, Juan Tolosa,Jesús Canales-Vázquez, Daniel Hermida-Merino, Iván Bravo, José Albaladejo,and Joaquín C. García-Martínez | The Journal of Physical Chemistry C | 2017 | 121 | 4720−4733 | 10.1021/acs.jpcc.7b00311 |
| The role of weak interactions in lignin polymerization | A. Sanchez-Gonzalez, F.J. Martin-Martinez, J.A. Dobado | Journal of Molecular Modeling | 2017 | 23 | 80-90 | 10.1007/s00894-017-3257-4 |
| AWESoMe 1.1: A code for the calculation of phase and group velocities of acoustic waves in homogeneous solids | Daniel Muñoz-Santiburcio, Alfonso Hernández-Laguna | Computer Physics Communications | 2017 | 217 | 212-214 | 10.1016/j.cpc.2017.03.015 |
| Understanding Electron Transport in Disk-Shaped Triphenylene- Tris(naphthaleneimidazole)s through Structural Modification and Theoretical Investigation | Yue Zhang,David A. Hanifi,M. Paz Fernández-Liencres,Liana M. Klivansky,Biwu Ma, Amparo Navarro and Yi Liu | ACS Appl. Mater. Interfaces | 2017 | 9 | 20010−20019 | 10.1021/acsami.7b03795 |
| Cytotoxic Half-Sandwich Rh(III) and Ir(III) beta-Diketonates | Agnese Petrini, Riccardo Pettinari, Fabio Marchetti, Claudio Pettinari, Bruno Therrien, Agustín Galindo, Rosario Scopelliti, Tina Riedel, Paul J. Dyson | Inorg. Chem. | 2017 | 56 | 13600-13612 | 10.1021/acs.inorgchem.7b02356 |
| Aggregation-Induced Enhanced Emission (AIEE) from N,N-Octyl-7,7'-Diazaisoindigo-Based Organogel | Andrés Garzón-Ruiz, Amparo Navarro, Daniel López, Josefina Perles, and Eva M. García-Frutos | J. Phys. Chem. C | 2017 | 121 | 27071-27081 | 10.1021/acs.jpcc.7b07625 |
| Controlled and Reversible Stepwise Growth of Linear Copper(I) Chains Enabled by Dynamic Ligand Scaffolds | Rivada-Wheelaghan, O., Aristizábal, S.L., López-Serrano, J., Fayzullin, R.R., Khusnutdinova, J.R. | Angewandte Chemie International Edition | 2017 | 56 | 16267-16271 | 10.1002/anie.201709167 |
| Cationic (η5‑C5Me4R)RhIII Complexes with Metalated Aryl Phosphines Featuring η4‑Phosphorus plus Pseudo-Allylic Coordination | María F. Espada, Ana C. Esqueda,† Jesús Campos, Miguel Rubio, Joaquín López-Serrano, Eleuterio Álvarez, Celia Maya, and Ernesto Carmona | Organometallics | 2017 | 37 | 11-21 | 10.1021/acs.organomet.7b00688 |
| Cubane-like tetranuclear Cu(II) complexes bearing a Cu4O4 core: crystal structure, magnetic properties, DFT calculations and phenoxazinone synthase like activity | Shipra Sagar, Swaraj Sengupta, Antonio J. Mota, Shyamal K. Chattopadhyay, Arturo Espinosa Ferao, Eric Riviere, William Lewis, Subhendu Naskar | Dalton Trans. | 2017 | 46 | 1249-1259 | 10.1039/C6DT03754B |
| Advanced oxidation processes based on the use of UV and simulated solar radiation to remove the antibiotic tinidazole from water | I. Velo-Gala, J. A. Pirán-Montaño, J. Rivera-Utrilla, M. Sánchez-Polo, Antonio J. Mota | Chem. Eng. J. | 2017 | 323 | 605-617 | 10.1016/j.cej.2017.04.102 |
| Synthetic ability of dinuclear mesocates containing 1,3-bis(diazinecarboxamide)benzene bridging ligands to form complexes of increased nuclearity. Crystal structures, magnetic properties and theoretical studies | Maria A. Palacios, Jessica Morlieras, Juan Manuel Herrera, Antonio J. Mota, Euan K. Brechin, Smail Triki, Enrique Colacio | Dalton Trans. | 2017 | 46 | 10469-10483 | 10.1039/C7DT02288C |
| Ci-symmetry, [2×2] grid, square copper complex with the N4,N5-bis(4-fluorophenyl)-1H-imidazole-4,5-dicarboxamide ligand. Structure, catecholase activity, magnetic properties and DFT calculations | Arfa Parween, Sumita Naskar, Antonio J. Mota, Arturo Espinosa Ferao, Eric Riviere, William Lewis, Subhendu Naskar | NJC | 2017 | 41 | 11750-11758 | 10.1039/C7NJ01667K |
| Intramolecular hydrogen bonding in conformationally semi-rigid α-acylmethane derivatives: a theoretical NMR study | Antonio J. Mota, Jürgen Neuhold, Martina Drescher, Sébastien Lemouzy, Leticia González, Nuno Maulide | Org. Biomol. Chem. | 2017 | 15 | 7572-7579 | 10.1039/C7OB01834G |
| Adsorption of small inorganic molecules on a defective MoS2 monolayer | Gonzalez, C.; Biel, B.; Dappe, Y.J. | PCCP | 2017 | 19 | 9485-9499 | 10.1039/c7cp00544j |
| Amplification of a metallacyclic receptor out of a dynamic combinatorial library | Arturo Blanco-Gómez, Tamara Rama, Olaya Domarco, Iago Neira, Victor Blanco, José M. Quintela, Marcos D. García, Carlos Peinador | Dalton Trans. | 2017 | 46 | 15671–15675 | 10.1039/c7dt03379f |
| Porphyrin-based metal-organic frameworks for solar fuel synthesis photocatalysis: band gap tuning via iron substitutions | Alex Aziz, A. Rabdel Ruiz-Salvador, Norge C. Hernández, Sofia Calero, Said Hamad and Ricardo Grau-Crespo | J. Mater. Chem. A, | 2017 | 5 | 11894-11904 | 10.1039/c7ta01278k |
| Selective sulfur dioxide adsorption on crystal defect sites on an isoreticular metal organic framework series | L. Marleny Rodríguez-Albelo, Elena López-Maya, Said Hamad, A. Rabdel Ruiz-Salvador, Sofia Calero and Jorge A.R. Navarro | Nature Communications | 2017 | 8 | 14457:1-10 | 10.1038/ncomms14457 |
| Selective sulfur dioxide adsorption on crystal defect sites on an isoreticular metal organic framework series | Rodríguez-Albelo, L Marleny López-Maya, Elena Hamad, Said Ruiz-Salvador, A Rabdel Calero, Sofia Navarro, Jorge A R | Nature Communications | 2017 | 8 | 14457 | https://doi.org/10.1038/ncomms14457 |
| Double one-sided cross-validation of local linear hazards | Gámiz, M.L., Mammen, E., Martínez-Miranda, M.D. and Nielsen, J.P. | Journal of the Royal Statistical Society Series B | 2016 | 78 | 1-26 | 10.1111/rssb.12133 |
| Goodness-of-fit test in parametric mixed effects models based on the estimation of the error distribution | González-Manteiga, W., Martínez-Miranda, M.D. and Van Keilegom, I. | Biometrika | 2016 | x | 1-15 | 10.1093/biomet/asv061 |
| On the Design of Aircraft Electrical Structure Networks | Guadalupe G. Gutierrez, Daniel Mateos Romero, Miguel Ruiz Cabello, Enrique Pascual-Gil, Luis Diaz Angulo, Salvador Gonzalez Garcia | IEEE TRANSACTIONS ON ELECTROMAGNETIC COMPATIBILITY | 2016 | 58 | 1-8 | 10.1109/TEMC.2016.2514379 |
| DFT Studies on the Mechanism of the Vanadium-Catalyzed Deoxydehydration of Diols | Agustín Galindo | Inorganic Chemistry | 2016 | 55 | 2284-2289 | 10.1021/acs.inorgchem.5b02649 |
| Theoretical characterisation of point defects on a MoS2 monolayer by scanning tunnelling microscopy | C. Gonzalez, B. Biel, Y. J. Dappe | Nanotechnology | 2016 | 27 | 105702 (12pp) | 10.1088/0957-4484/27/10/105702 |
| QUANTITATIVE SUBTRACTIVELY NORMALIZED INTERFACIAL FOURIER TRANSFORM INFRARED REFLECTION SPECTROSCOPY STUDY OF THE ADSORPTION OF ADENINE ON AU (111) ELECTRODES | Francisco Prieto, ZhangFei Su, J. Jay Leitch, Manuela Rueda, and Jacek Lipkowski | Langmuir | 2016 | Just accepted | 1 | 10.1021/acs.langmuir.6b00635 |
| Sox9 and Sox8 protect the adult testis from male-to-female genetic reprogramming and complete degeneration | Francisco J Barrionuevo,  Alicia Hurtado, Gwang-Jin Kim, Francisca M Real, Mohammed Bakkali, Janel L Kopp, Maike Sander, Gerd Scherer, Miguel Burgos, Rafael Jiménez | eLife | 2016 | 5 | e15635 | 10.7554/eLife.15635 |
| A New Efficient and Stable 3D Conformal FDTD | M. R. Cabello, L. D. Angulo, J. Alvarez, A. R. Bretones, G. G. Gutierrez and S. G. Garcia | IEEE Microwave and Wireless Components Letters | 2016 | 26 | 553-555 | 10.1109/LMWC.2016.2588579 |
| Gibbs sampling of complex-valued distributions | L. L. Salcedo | Physical Review D | 2016 | 94 | 074503,1-21 | 10.1103/PhysRevD.94.074503 |
| Effect of five-membered ring and heteroatom substitution on charge transport properties of perylene discotic derivatives: A theoretical approach | Amparo Navarro, M. Paz Fernández-Liencres, Tomás Peña-Ruiz, Gregorio García, José M. Granadino- Roldán, and Manuel Fernández-Gómez | The Journal of Chemical Physics | 2016 | 145 | 054903-1; 054903-12 | 10.1063/1.4960051 |
| Paths and wakes of deformable nearly spheroidal rising bubbles close to the transition to path instability | José Carlos Cano-Lozano, Carlos Martínez-Bazán, Jacques Magnaudet, and Joël Tchoufag | Phys. Rev. Fluids | 2016 | 1 | 053604 | https://doi.org/10.1103/PhysRevFluids.1.053604 |
| Synthesis, structure and anticancer activity of arene-ruthenium(II) complexes with acylpyrazolones bearing aliphatic groups in the acyl moiety. | Jessica Palmucci, Fabio Marchetti, Riccardo Pettinari, Claudio Pettinari, Rosario Scopelliti, Tina Riedel, Bruno Therrien, Agustin Galindo, Paul J. Dyson. | Inorganic Chemistry | 2016 | 25 | 11770−11781 | 10.1021/acs.inorgchem.6b01861 |
| A computational study of bulk porous two-dimensional polymers related to graphyne | A. Sanchez-Gonzalez, J.A. Dobado, M. Torneiro | Physical Chemistry Chemical Physics | 2016 | 18 | 21305-21314 | 10.1039/C6CP02511K |
| Compressibility of 2M1 muscovite-paragonite series minerals: A computational study to 6 GPa | Noemí Hernández-Haro, Daniel Muñoz-Santiburcio, Carlos Pérez Del Valle, Joaquin Ortega-Castro, Claro I. Sainz-Díaz, Carlos J. Garrido, and Alfonso Hernández-Laguna | American Mineralogist | 2016 | 101 | 1207-1216 | 10.2138/am-2016-5407 |
| Simulating the Dehydroxylation Reaction in Smectite Models by Car-Parrinello-Like-Born-Oppenheimer MD and Metadynamics | Daniel Muñoz-Santiburcio, Alfonso Hernández-Laguna, and Claro Ignacio Sainz-Diaz | Journal of Physical Chemistry C | 2016 | 120 | 28186-28192 | 10.1021/acs.jpcc.6b10436 |
| Versatile synthesis and enlargement of functionalized distorted heptagon-containing nanographenes | I. R. Márquez, N. Fuentes, C. M. Cruz, V. Puente-Muñoz, L. Sotorrios, M. L. Marcos, D. Choquesillo-Lazarte, B. Biel, L. Crovetto, E. Gómez-Bengoa, M. T. González, R. Martín, J. M. Cuerva, A. G. Campaña | Chemical Science | 2016 | 8 | 1069-1074 | 10.1039/c6sc02895k |
| Zinc-mediated diastereoselective assembly of a trinuclear circular helicate | Jesus Sanmartín-Matalobos, Matilde Fondo, Ana M. García-Deibe, Martín Amoza, Pilar Bermejo, M. Raquel Domínguez, Antonio J. Mota, J. Luis Pérez-Lustres, Sourav Bhowmick, Neeladri Das | RSC Adv. | 2016 | 6 | 21228-21234 | 10.1039/c6ra01783e |
| Removal of compounds used as plasticizers and herbicides from water using gamma irradiation | José Rivera-Utrilla, Mahmoud M. Abdel daiem, Manuel Sánchez-Polo, Raúl Ocampo-Pérez, Jesús J. López-Peñalver, Inmaculada Velo-Gala, Antonio J. Mota | Sci. Total Environ. | 2016 | 569-570 | 518-526 | 10.1016/j.scitotenv.2016.06.114 |
| Stapled helical o-OPE foldamers as new Circularly Polarized Luminescence emitters based on carbophilic interactions with Ag(I)-sensitivity | Sara P. Morcillo, Delia Miguel, Luis Álvarez de Cienfuegos, José Justicia, Sergio Abbate, Ettore Castiglioni, Christophe Bour, María Ribagorda, Diego J. Cárdenas, José Manuel Paredes, Luis Crovetto, Duane Choquesillo-Lazarte, Antonio J. Mota, M. Carmen Carreño, Giovanna Longhi, Juan M. Cuerva | Chem. Sci. | 2016 | 7 | 5663-5670 | 10.1039/C6SC01808D |
| Guest-induced stereoselective self-assembly of quinoline-containing PdII and PtII metallacycles | Victor Blanco, Dolores Abella, Tamara Rama, Cristina Alvariño, Marcos D. García, Carlos Peinador, José M. Quintela | RSC Adv. | 2016 | 6 | 80181–80192 | 10.1039/c6ra14909j |
| Modelling a Linker Mix-and-Match Approach for Controlling the Optical Excitation Gaps and Band Alignment of Zeolitic Imidazolate Frameworks | Ricardo Grau-Crespo, Alex Aziz, Angus W. Collins, Rachel Crespo-Otero, Norge C. Hernández, L. Marleny Rodriguez-Albelo, A. Rabdel Ruiz-Salvador, Sofia Calero, and Said Hamad | Angew. Chem. Int. Ed. | 2016 | 55 | 16012 –16016 | 10.1002/anie.201609439 |
| Structural and theoretical studies on rhodium and iridium complexes | Nuria A. Illán-Cabeza,Tomás Peña-Ruiz, José M. Martínez-Martos, Miguel N. Moreno-Carretero | Journal of Inorganic Biochemistry | 2015 | 143 | 20-33 | 10.1016/j.jinorgbio.2014.11.004 |
| Oxido- versus imido- transfer reactions in oxido imido molybdenum(VI) complexes: a combined experimental and theoretical study | Antonio Pastor, Francisco Montilla, Agustín Galindo. | Polyhedron | 2015 | 90 | 233–238 | 10.1016/j.poly.2015.02.015 |
| Synthesis, characterization and structure of nickel and copper compounds containing ligands derived from keto-enehydrazines and their catalytic application for aerobic oxidation of alcohols. | Miguel Ángel Gaona, Francisco Montilla, Eleuterio Álvarez, Agustín Galindo. | Dalton Trans. | 2015 | 44 | 6516–6525 | 10.1039/c5dt00358j |
| In-sample forecasting applied to reserving and mesothelioma | Mammen, E., Martínez-Miranda, M.D. and Nielsen, J.P. | Insurance: Mathematics and Economics | 2015 | 61 | 76-86 | 10.1016/j.insmatheco.2014.12.001 |
| Electronic structure of kaempferol-Cu+2 coordination compounds: a DFT, QTAIM and NBO study in the gas phase | María del Carmen Ramírez Avi, Ana África Márquez García, Francisco Partal Ureña | Theor Chem Acc | 2015 | 134 | 52 | 10.1007/s00214-015-1655-1 |
| AWESoMe: A code for the calculation of phase and group velocities of acoustic waves in homogeneous solids | Daniel Muñoz-Santiburcio, Alfonso Hernández-Laguna, Juan I. Soto | Computer Physics Communications | 2015 | 192 | 272–277 | 10.1016/j.cpc.2015.02.024 |
| TAUTOMERISM OF ADSORBED THYMINE ON GOLD ELECTRODES: AN IN SITU SURFACE-ENHANCED INFRARED SPECTROSCOPY STUDY | F. Prieto, J. Alvarez-Malmagro , M. Rueda and J.M. Orts | Electrochimica Acta | 2015 | 1 | 1-13 | 10.1016/j.electacta.2015.11.109 |
| Electronic structure of porphyrin-based metal–organic frameworks and their suitability for solar fuel production photocatalysis | Said Hamad, Norge C. Hernandez, Alex Aziz, A. Rabdel Ruiz-Salvador, Sofia Calero and Ricardo Grau-Crespo | Journal of Materials Chemistry A | 2015 | 3 | 23458-23465 | 10.1039/C5TA06982C |
| Electronic and Morphological Studies of Conjugated Polymers Incorporating a Disk-Shaped Polycyclic Aromatic Hydrocarbon Unit | Bo He, Benjamin A. Zhang, Feng Liu, Amparo Navarro, M. Paz Fernández-Liencres, Ryan Lu, Kelvin Lo, Teresa L. Chen, Thomas P. Russell, and Yi Liu | Applied Materials & Interfaces | 2015 | 7 | 20034−20045 | 10.1021/acsami.5b04907 |
| The use of Volume of Fluid technique to analyze multiphase flows: Specific case of bubble rising in still liquids | J.C. Cano-Lozano, R. Bolaños-Jiménez, C. Gutiérrez-Montes, C. Martínez-Bazán | Applied Mathematical Modelling | 2015 | 39 | 3290–3305 | http://dx.doi.org/10.1016/j.apm.2014.11.034 |
| An experimental and theoretical magneto-structural study of polynuclear NiII complexes assembled from a versatile bis(salicylaldehyde)diamine polytopic ligand | Itziar Oyarzabal, José Ruiz, Antonio J. Mota, Antonio Rodríguez-Diéguez, José M. Seco, Enrique Colacio | Dalton Trans. | 2015 | 44 | 6825-6838 | 10.1039/c5dt00356c |
| Can novel dinuclear Ni-Gd complexes give supplementary information on the Ni-Gd magnetic interaction? | Jean-Pierre Costes, Francoise Dahan, Carine Duhayon, Antonio J. Mota | Polyhedron | 2015 | 96 | 51-56 | 10.1016/j.poly.2015.04.022 |
| Effect of radical peroxide promoters on the photodegradation of cytarabine antineoplastic in water | Raúl Ocampo-Pérez, José Rivera-Utrilla, Antonio J. Mota, Manuel Sánchez-Polo, Roberto Leyva-Ramos | Chem. Eng. J. | 2015 | 284 | 995-1002 | 10.1016/j.cej.2015.08.162 |
| Two-dimensional carbon-based conductive materials with dynamically controlled asymmetric Dirac cones | Delia Miguel, Irene R. Márquez, Luis Álvarez de Cienfuegos, Noelia Fuentes, Salvador Rodríguez-Bolívar, Diego J. Cárdenas, Antonio J. Mota, Francisco Gómez-Campos, Juan M. Cuerva | Phys. Chem. Chem. Phys. | 2015 | 17 | 31902-31910 | 10.1039/C5CP04631A |
| Electronic structure of porphyrin-based metal– organic frameworks and their suitability for solar fuel production photocatalysis | Said Hamad, Norge C. Hernandez, Alex Aziz, A. Rabdel Ruiz-Salvador, Sofia Calero and Ricardo Grau-Crespo | J. Mater. Chem. A, | 2015 | 3 | 23458-23465 | 10.1039/c5ta06982c |
| Thermal Stability of Tilt Grain Boundaries in Graphene | J.P. Méndez, F. Macias, M.P. Ariza | Applied Mechanics and Materials | 2014 | 481 | 129-132 | 10.4028/www.scientific.net/AMM.481.129 |
| Highly regioselective and chemoselective titanocene mediated Barbier-type allylation reactions | Sara P. Morcillo, Ángela Martínez-Peragón, Verena Jakoby, Antonio J. Mota, Christian Kube, José Justicia, Juan M. Cuerva, Andreas Gansäuer | Chem. Commun. | 2014 | 50 | 2211-2213 | 10.1039/C3CC49230C |
| Structural, magnetic and theoretical calculations of a ferromagnetically coupled tetranuclear copper(II) square complex | Lionel Salmon, Pierre Thuéry, Eric Rivière, Jean-Pierre Costes, Antonio J. Mota, Michel Ephritikhine | New J. Chem. | 2014 | 38 | 1306-1314 | 10.1039/C3NJ01512B |
| Two Tetranuclear Copper(II) Complexes with Open Cubane-Like Cu4O4 Core Framework and Ferromagnetic Exchange Interactions between Copper(II) Ions: Structure, Magnetic Properties, and Density Functional Study | Elif Gungor, Hulya Kara, Enrique Colacio, Antonio J. Mota | Eur. J. Inorg. Chem. | 2014 | 1552-1560 | 10.1002/ejic.201301515 | |
| Ti(III)-Catalyzed Cyclizations of Ketoepoxypolyprenes: Control over the Number of Rings and Unexpected Stereoselectivities | Sara P. Morcillo, Delia Miguel, Sandra Resa, Ana Martín-Lasanta, Alba Millán, Duane Choquesillo-Lazarte, Juan M. García-Ruiz, Antonio J. Mota, José Justicia, Juan M. Cuerva | J. Am. Chem. Soc. | 2014 | 136 | 6943–6951 | 10.1021/ja413254g |
| The role of pollinator diversity in the evolution of corolla-shape integration in a pollination-generalist plant clade | Gómez JM, Perfectti F, Klingenberg CP | Philosophical Transactions of the Royal Society B | 2014 | 369 | 20130257 | 10.1098/rstb.2013.0257 |
| OH Initiated Oxidation of Formic Acid on Mineral Aerosol Surface; A Quantum Chemistry Study. | Iuga, C., Sainz-Díaz, C.I.*, A. Vivier-Bunge | Environmental Chemistry | 2014 | 1 | 1-12 | 1 |
| Theoretical study of the influence of the Mg2+ and Al3+ octahedral cations on the vibrational spectra of the hydroxyl groups of dioctahedral 2:1 phyllosilicate models | N. Hernández-Haro, J. Ortega-Castro, M. Pruneda, C. I. Sainz-Díaz, A. Hernández-Laguna | Journal of Molecular Modeling | 2014 | 2014 | 1-12 | 10.1007/s00894-014-2402-6 |
| Indigo adsorption on a silicate surface: a theoretical density functional study. | Iuga, C., Sainz-Díaz, C.I., E. Ortiz, Vivier-Bunge, A. | Journal of Molecular Modeling | 2014 | 2014 | 1-12 | 10.1007/s00894-014-2318-1 |
| Interaction of methane hydrate complexes with smectites: Experimental results compared to molecular models | R. Martos-Villa, S. Guggenheim, M.P. Mata, C. I. Sainz-Díaz*, F. Nieto | American Mineralogist | 2014 | 99 | 401-414 | 1 |
| Characterization of CO2 and mixed methane/CO2 hydrates intercalated in smectites by means of atomistic calculations. | R. Martos-Villa, M.P. Mata, C. I. Sainz-Díaz* | Journal of Molecular Graphics and Modelling | 2014 | 49 | 80-90 | ? |
| Experimental and theoretical insights into the oxodiperoxomolybdenum-catalysed sulphide oxidation using hydrogen peroxide in ionic liquids. | Carlos J. Carrasco, Francisco Montilla, Eleuterio Álvarez, Carlo Mealli, Gabriele Manca, Agustín Galindo. | Dalton Trans. | 2014 | 43 | 13711–13730 | 10.1039/c4dt01733a |
| Insight into the informational-structure behavior of the Diels-Alder reaction of cyclopentadiene and maleic anhydride | M. Molina-Espiritu, R.O. Esquivel, M. Kohout, J.C. Angulo, J.A. Dobado, J.S. Dehesa, S. Lopez, R. C. Soriano-Correa | Journal of Molecular Modeling | 2014 | 20 | 2361-2374 | 10.1007/s00894-014-2361-y |
| Linear {NiII–LnIII–NiII} Complexes Containing Twisted Planar Ni(μ-phenolate)2Ln Fragments: Synthesis, Structure, and Magnetothermal Properties | Sourav Das, Atanu Dey, Subrata Kundu, Sourav Biswas, A. J. Mota, Enrique Colacio, Vadapalli Chandrasekhar | Chem. Asian J. | 2014 | 9 | 1876-1887 | 10.1002/asia.201402062 |
| Two C3 symmetric Dy3III Complexes with Triple Di-mu-Methoxo-mu-Phenoxo Bridges, Magnetic Ground State and Single-Molecule Magnetic Behaviour | Mikko M. Hänninen, Antonio J. Mota, Daniel Aravena, Eliseo Ruiz, Reijo Sillanpää, Agustín Camón, Marco Evangelisti, Enrique Colacio | Chem. Eur. J. | 2014 | 20 | 8410-8420 | 10.1002/chem.201402392 |
| Photodegradation of herbicides with different chemical natures in aqueous solution by ultraviolet radiation. Effects of operational variables and solution chemistry | Francisco Orellana-García, Miguel A. Álvarez, Victoria López-Ramón, José Rivera-Utrilla, Manuel Sánchez-Polo, Antonio J. Mota | Chem. Eng. J. | 2014 | 255 | 307-315 | 10.1016/j.cej.2014.06.047 |
| Anion Controlled Structural and Magnetic Diversity in Unusual Mixed-bridged Polynuclear NiII Complexes with a Versatile bis(2-methoxyphenol)diamine Hexadentate Ligand. An Experimental and Theoretical Magneto-Structural Study | Enrique Colacio, Antonio Rodríguez Diéguez, Luis Botana, José Ruiz, Antonio J. Mota, José M. Seco, Itziar Oyarzabal | Dalton Trans. | 2014 | 43 | 13509-13524 | 10.1039/C4DT01253D |
| Rational design of a new fluorescent 'ON/OFF' xanthene dye for phosphate detection in live cells | A. Martínez-Peragón, D. Miguel, A. Orte, A. J. Mota, M. J. Ruedas-Rama, J. Justicia, J. M. Álvarez-Pez, J. M. Cuerva, L. Crovetto | Org. Biomol. Chem. | 2014 | 12 | 6432-6439 | 10.1039/C4OB00951G |
| Novel Ortho-OPE Metallofoldamers: Binding-Induced Folding Promoted by Nucleating Ag(I)-Alkyne Interactions | Ana Martin-Lasanta, Luis Álvarez de Cienfuegos, Alice Johnson, Delia Miguel, Antonio J. Mota, Ángel Orte, María José Ruedas-Rama, María Ribagorda, Diego Cárdenas, M. Carmen Carreño, Antonio Echavarren, Juan M. Cuerva | Chem. Sci. | 2014 | 5 | 4582-4591 | 10.1039/C4SC01988A |
| Single-Molecule Magnet Behavior and Magnetocaloric Effect in Ferromagnetically Coupled LnIII-NiII-NiII-LnIII (LnIII = DyIII and GdIII) Linear Complexes | Carlos Meseguer, Silvia Titos-Padilla, Mikko Hänninen, Ricardo Navarrete, Antonio J. Mota, Marco Evangelisti, José Ruiz, Enrique Colacio | Inorg. Chem. | 2014 | 53 | 12092-12099 | 10.1021/ic501915j |
| Smoothing survival densities in practice | Gámiz, M.L., Martínez-Miranda, M.D. and Nielsen, J.P. | Computational Statistics and Data Analysis | 2013 | 58(1) | 368-382 | 10.1016/j.csda.2012.09.011 |
| Structural Consequences of the N7 and C8 Translocation on the Metal Binding Behavior of Adenine | Alicia Domínguez-Martín, Duane Choquesillo-Lazarte, Jose A. Dobado , Henar Martínez-García, Luis Lezama, Josefa M. González-Pérez, Alfonso Castiñeiras, Juan Niclós-Gutiérrez | Inorganic Chemistry | 2013 | 52 | 1916–1925 | 10.1021/ic302147u |
| From 7-azaindole to adenine: molecular recognition aspects on mixed-ligand Cu(II) complexes with deaza-adenine ligands | Alicia Domínguez-Martín , Duane Choquesillo-Lazarte , Jose A. Dobado , Isaac Vidal , Luis Lezama , Josefa María González-Pérez , Alfonso Castiñeiras and Juan Niclós-Gutiérrez | Dalton Transactions | 2013 | 0 | 000-000 | 10.1039/c2dt32191b |
| Ferromagnetic Dinuclear Mixed-Valence Mn(II)/Mn(III) Complexes: Building Blocks for the Higher Nuclearity Complexes. Structure, Magnetic Properties, and Density Functional Theory Calculations | Mikko M. Hänninen, Juha Välivaara, Antonio J. Mota, Enrique Colacio, Francesc Lloret, Reijo Sillanpää | Inorg. Chem. | 2013 | 52 | 2228-2241 | 10.1021/ic302731z |
| Stepwise Formation of a Pentanuclear Ni4Cu Heterometallic Complex Exhibiting a Vertex-Sharing Defective Double-Cubane Core and Diphenoxo- and Phenoxo/Azide Bridging Groups: A Magnetostructural and DFT Theoretical Study | Koushik Pramanik, Pijush Malpaharia, Antonio J. Mota, Enrique Colacio, Babulal Das, F. Lloret, Swapan K. Chandra | Inorg. Chem. | 2013 | 52 | 3995-4001 | 10.1021/ic302784q |
| Comparative Study of the Photodegradation of Bisphenol A by HO•, SO4•- and CO3•-/HCO3• Radicals in Aqueous Phase | Manuel Sánchez-Polo, Mahmoud M. Abdel Daiem, Raúl Ocampo-Pérez, José Rivera-Utrilla, Antonio J. Mota | Sci. Total Environ. | 2013 | 463-464 | 414-422 | 10.1016/j.scitotenv.2013.06.012 |
| Two-state dynamics of the SH3-SH2 tandem of Abl kinase and the allosteric role of the N-cap | Corbi-Verge C, Marinelli F, Zafra-Ruano A, Ruiz-Sanz J, Luque I, Faraldo-Gómez JD | Proc. Natl. Acad. Sci. U. S. A. | 2013 | 110 | E3372-E3380 | 10.1073/pnas.1303966110 |
| Absence of a magnetic interaction in a dinuclear copper complex? The case of a crossed axial–equatorial oxalate coordination mode | Antonio J. Mota, Enrique Colacio, Jean-Pierre Costes, Françoise Dahan | Polyhedron | 2013 | 63 | 127-132 | 10.1016/j.poly.2013.06.054 |
| Bandwidth selection in marker dependent kernel hazard estimation | Gámiz-Pérez M.L., Janys, L., Martínez-Miranda, M.D., Nielsen, J.P. | Computational Statistics and Data Analysis | 2013 | 68 | 155–169 | 10.1016/j.csda.2013.06.010 |
| Structural Diversity due to Amino Alcohol Ligands Leading to Rare μ4-Hydroxo-Bridged Tetranuclear and “Bicapped Cubane” Cores in Copper(II) Complexes: A Theoretical and Experimental Magnetostructural Study | Petri Seppälä, Enrique Colacio, Antonio J. Mota, Reijo Sillanpää | Inorg. Chem. | 2013 | 52 | 11096–11109 | 10.1021/ic401325b |
| Ab initio validation of continuum models parametrizations for ultrascaled SOI interfaces | Biel, Blanca; Donetti, Luca; Godoy, Andrés; Gámiz, Francisco | Microelectronic Engineering | 2013 | 109 | 286-289 | 10.1016/j.mee.2013.03.012 |
| Crystal structure, stability and spectroscopic properties of methane and CO2 hydrates. | R. Martos-Villa, M. Francisco-Márquez, M.P. Mata, C. I. Sainz-Díaz | Journal of Molecular Graphics and Modelling | 2013 | 44 | 253-265 | ? |
| Structure determination of trimethylsulfoxonium-exchanged vermiculite. | Jones, C.A., Martos-Villa, R., Guggenheim, S., Sainz-Díaz, C. I. | Clays and Clay Minerals | 2013 | 61 | 218-230 | ? |
| Interlayer water molecules in organocation-exchanged vermiculite and montmorillonite: A case study of tetramethylammonium. | R. Martos-Villa, S. Guggenheim, C. I. Sainz-Díaz* | American Mineralogist | 2013 | 98 | 1535-1542 | ? |
| Water release from pyrophyllite during the dehydroxylation process explored by quantum mechanical simulations | E. Molina-Montes, D. Donadio, A. Hernández-Laguna, M. Parrinello, C.I. Sainz-Díaz*. | Journal of Physical Chemistry C | 2013 | 117 | 7526-7532 | ? |
| Computational study of the elastic behavior of the 2M1 Muscovite-Paragonite series. | Hernández-Haro, N., Ortega-Castro, J., Pérez-Del-Valle, C., D. Muñoz-Santiburcio, Sainz-Díaz, C.I., Hernández-Laguna, A. | American Mineralogist | 2013 | 98 | 651-664 | ? |
| Dioxomolybdenum(VI) complexes with acylpyrazolonate ligands: synthesis, structures, and catalytic properties. | Lily Hills, Raquel Moyano, Francisco Montilla, Antonio Pastor, Agustín Galindo, Eleuterio Álvarez, Fabio Marchetti, Claudio Pettinari. | Eur. J. Inorg. Chem. | 2013 | - | 3352–3361 | 10.1002/ejic.201300098. |
| Touching the upper limit for ferromagnetic interactions in hetero-bridged dinuclear [Cu2II] complexes using a novel N5-dinucleating ligand bearing an endogenous monoatomic amido(R–NH−)-bridging group | Enrique Colacio, Jesús E. Perea-Buceta, Antonio J. Mota, Euan K. Brechin, Alessandro Prescimone, Mikko Hänninen, Petri Seppälä and Reijo Sillanpää | Chem. Commun. | 2012 | 48 | 805-807 | 10.1039/C1CC16590A |
| Experimental Evidence and DFT Studies of Next-Nearest-Neighbor Magnetic Interactions through Diamagnetic 3d and 4d Ions | Jean-Pierre Costes, Carine Duhayon, Laure Vendier, Enrique Colacio, Antonio J. Mota Ávila and Jose Suarez Varela | Inorg. Chem. | 2012 | 51 | 1011-1019 | 10.1021/ic202157q |
| Synthesis, crystal structures and magnetic properties of bis(μ-dialkoxo)-bridged linear trinuclear copper(II) complexes with aminoalcohol ligands: a theoretical/experimental magneto–structural study | Petri Seppälä, Enrique Colacio, Antonio J. Mota and Reijo Sillanpää | Dalton Trans. | 2012 | 41 | 2648-2658 | 10.1039/C2DT11628F |
| Synthesis, structure, magnetic properties and DFT calculations of novel bis-(5-tetrazolyl)amine copper(II) complexes | Antonio Rodríguez-Diéguez, Marta E. López-Viseras, Jesús E. Perea-Buceta, Antonio J. Mota, Enrique Colacio | Inorg. Chim. Acta | 2012 | 385 | 73-80 | 10.1016/j.ica.2011.12.040 |
| Ab Initio Molecular Dynamics Study of the Dehydroxylation Reaction in a Smectite Model | D. Muñoz-Santiburcio, M. Kosa, A. Hernández-Laguna, C. I. Sainz-Díaz and M. Parrinello | Journal of Physical Chemistry C | 2012 | 116 | 12203-12211 | 10.1021/jp301366r |
| Family of Carboxylate- and Nitrate-diphenoxo Triply Bridged Dinuclear NiIILnIII Complexes (Ln = Eu, Gd, Tb, Ho, Er, Y): Synthesis, Experimental and Theoretical Magneto-Structural Studies, and Single-Molecule Magnet Behavior | Enrique Colacio, José Ruiz, Antonio J. Mota, María A. Palacios, Eduard Cremades, Eliseo Ruiz, Fraser J. White, and Euan K. Brechin | Inorg. Chem. | 2012 | 51 | 5857-5868 | 10.1021/ic3004596 |
| Diphenoxo-bridged NiIILnIII Dinuclear Complexes as Platforms for Heterotrimetallic LnIIIRuIIINiII Systems with a High Magnetic Moment Ground State: Synthesis, Structure and Magnetic properties | Enrique Colacio, María A. Palacios, Antonio J. Mota, José Ruiz, Mikko M. Hänninen, Reijo Sillanpää | Inorg. Chem. | 2012 | 51 | 7010-7012 | 10.1021/ic3008443 |
| Encapsulation of atmospheric CO2 by a self-assembled decanuclear cadmium complex via unfamiliar perchlorato and carbonato bridges | Ana M. García-Deibe, Cristina Portela-García, Matilde Fondo, Antonio J. Mota, Jesús Sanmartín-Matalobos | Chem. Commun. | 2012 | 48 | 9915-9917 | 10.1039/c2cc35171d |
| New insights into the mechanism of oxodiperoxomolybdenum catalysed olefin epoxidation and the crystal structures of several oxo peroxo molybdenum complexes | Matthew Herbert, Francisco Montilla, Eleuterio Álvarez, Agustín Galindo. | Dalton Trans. | 2012 | 41 | 6942-6956 | 10.1039/C2DT12284G |
| Rational design of ferromagnetic coupled diphenoxocarboxylate triply bridged dinuclear nickel(II) complexes: orbital countercomplementarity of the bridging ligands | José Ruiz, Antonio J. Mota, Antonio Rodríguez-Diéguez, Itziar Oyarzabal, José M. Seco, Enrique Colacio | Dalton Trans. | 2012 | 41 | 14265-14273 | 10.1039/C2DT31643A |
| Thermally Driven Nanofuses Based on Organometallic Rotors | Antonio J. Mota, Luis Álvarez de Cienfuegos, Sara P. Morcillo, Noelia Fuentes, Delia Miguel, Salvador Rodríguez-Bolívar, Francisco M. Gómez-Campos, Diego J. Cárdenas, Juan M. Cuerva | ChemPhysChem | 2012 | 13 | 3857-3865 | 10.1002/cphc.201200544 |
| Versatile Bottom-up Approach to Stapled π-Conjugated Helical Scaffolds: Synthesis and Chiroptical Properties of Cyclic o-Phenylene Ethynylene Oligomers | Noelia Fuentes, Ana Martin-Lasanta, Luis Alvarez de Cienfuegos, Rafael Robles, Duane Choquesillo-Lazarte, Juan M. García-Ruiz, Lara Martínez-Fernández, Inés Corral, María Ribagorda, Antonio J. Mota, Diego J. Cárdenas, M. Carmen Carreño, Juan M. Cuerva | Angew. Chem. Int. Ed. | 2012 | 51 | 13036-13040 | 10.1002/anie.201206259 |
| Stacking faults and partial dislocations in graphene | M.P. Ariza, R. Serrano, J.P. Mendez, M. Ortiz | Philosophical Magazine | 2012 | 92 | 2004-2021 | 10.1080/14786435.2012.657254 |
| Evaluation of WRF Mean and Extreme Precipitation over Spain: Present Climate (1970-99) | Argüeso, D. , Hidalgo-Muñoz, J.M., Gámiz-Fortis, S.R., Esteban-Parra, M.J., Castro-Díez, Y. | Journal of Climate | 2012 | 25 | 4883-4895 | 10.1175/JCLI-D-11-00276.1 |
| High-resolution projections of mean and extreme precipitation over Spain using the WRF model (2070-2099 versus 1970-1999) | Argüeso, D., Hidalgo-Muñoz, J.M., Gámiz-Fortis, S.R., Esteban-Parra, M.J., Castro-Díez, Y. | Journal of Geophysical Research: Atmospheres | 2012 | 117 | D12108 | 10.1029/2011JD017399 |
| Ab initio Molecular Dynamics study of the dehydroxylation reaction in a smectite model. | Muñoz-Santiburcio, D., Kosa, M., Hernández-Laguna, A.. Sainz-Díaz, C.I., Parrinello, M. | Journal of Physical Chemistry C | 2012 | 116 | 12203-12211 | https://doi.org/10.1021/jp301366r |
| Evaluation of WRF mean and extreme precipitation over Spain: present climate (1970-1999). | Argüeso, D.; Hidalgo-Muñoz, J.M.; Gámiz-Fortis, S.R.; Esteban-Parra, M.J. and Y. Castro-Díez. | Journal of Climate | 2012 | 25 | 4883-4895 | 10.1175/JCLI-D-11-00276.1 |
| High-resolution projections of mean and extreme precipitation over the Iberian Peninsula using WRF (2070-2099 vs. 1970-1999). | Argüeso, D.; Hidalgo-Muñoz, J.M.; Gámiz-Fortis, S.R.; Esteban-Parra, M.J. and Y. Castro-Díez. | Journal of Geophysical Research (Atmospheres) | 2012 | 117 | 1-16 | 10.1029/2011JD017399 |
| NMR assignment in regioisomeric hydroquinones | J.A. Dobado, J.C. Gómez-Tamayo, F.G. Calvo-Flores, H. Martínez-García, W. Cardona, B. Weiss-López, O. Ramírez-Rodríguez, H. Pessoa-Mahana, R. Araya-Maturana | Magnetic Resonance in Chemistry | 2011 | 49 | 358-365 | 10.1002/mrc.2745 |
| Protecting-Group-Free Synthesis of Chokols | C. Pérez Morales, J. Catalan, V. Domingo, J.A. Dobado, J. González Delgado, M.M. Herrador, J.F. Quilez del Moral, A. Barrero | Journal of Organic Chemistry | 2011 | 76 | 2494-2501 | 10.1021/jo102280n |
| A combined experimental and theoretical study on bis(mu-alkoxo)diiron(III) complexes with hydroxybenzylaminoethanol [O,N,O] donor ligands: syntheses, structures and magnetic properties | Mikko M. Hänninen, Enrique Colacio, Antonio J. Mota, Reijo Sillanpää | Eur. J. Inorg. Chem. | 2011 | 1990-1996 | 10.1002/ejic.201001201 | |
| Edge effects, electronic arrangement, and aromaticity patterns on finite-length carbon nanotubes | F.J. Martin-Martinez, S. Melchor, J.A. Dobado | Physical Chemistry Chemical Physics, PCCP | 2011 | 13 | 12844-12857 | 10.1039/c1cp20672a |
| Fisher Information and Steric Effect: A Study of the Internal Rotation Barrier of Ethane | R.O. Esquivel, S. Liu, J.C. Angulo, J. S. Dehesa, J. Antolin, and M. Molina-Espíritu | J. Phys. Chem. A | 2011 | 115 | 4406-4415 | 10.1021/jp1095272 |
| Information-theoretical Complexity for the Hydrogenic Abstraction Reaction | Rodolfo O. Esquivel, Moyocoyani Molina-Espíritu, Juan Carlos Angulo, Juan Antolín, Nelson Flores-Gallegos, Jesús S. Dehesa | Molecular Physics | 2011 | 110 | 1-10 | 10.1080/00268976 |
| N, P, and As Ylides and Aza- and Arsa-Wittig Reactions from Topological Analyses of Electron Density | A. Sánchez-González, S. Melchor, J.A. Dobado, B. Silvi, J. Andrés | Journal of Physical Chemistry A | 2011 | 115 | 8316-8326 | 10.1021/jp204441p |
| Dinuclear Silver(I) Complexes for the Design of Metal-Ligand Networks Based on Triazolopyrimidines | A.B. Caballero, J.K. Vieth, A. Rodríguez-Diéguez, I. Vidal, J.A. Dobado, J.M. Salas, C. Janiak | Dalton Transactions | 2011 | 40 | 11845-11855 | 10.1039/c1dt10603a |
| Influence of the exchangeable cation on the adsorption of 2-nitro-1-propanol on smectite surface models | D. Muñoz-Santiburcio, J. Ortega-Castro, F.J. Huertas, A. Hernández-Laguna | Chemical Physics Letters | 2011 | 515 | 49-55 | 10.1016/j.cplett.2011.09.016 |
| Insights on the Binding Ability of a New Nucleobase Analog: 7-amine-1,2,4-triazole[1,5-a]pyrimidine. Synthesis and Magnetic Study of the First Copper(II) Complexes | A.B. Caballero, A. Rodríguez-Diéguez, I. Vidal, J.A. Dobado, O. Castillo, L. Lezama, J.M. Salas | Dalton Transactions | 2011 | en prensa | en prensa | 10.1039/C1DT11385B |
| Ferromagnetic heterotrinuclear Cu–Ni complexes of a compartmental chiral Schiff base | Matilde Fondo, Noelia Ocampo, Ana M. García-Deibe, Isabel García-Santos, Jesús Sanmartín, Antonio J. Mota and J. Luis Pérez-Lustres | Dalton Trans. | 2011 | 40 | 11770-11780 | 10.1039/C1DT10897B |
| Influence of the anions on the structure and magnetic properties of a series of bis(μ-diphenoxo)-bridged linear trinuclear copper(II) complexes: an experimental and theoretical study | Luis Botana, José Ruiz, José Manuel Seco, Antonio J. Mota, Antonio Rodríguez-Diéguez, Reijo Sillanpää and Enrique Colacio | Dalton Trans. | 2011 | 40 | 12462-12471 | 10.1039/C1DT11158B |
| Heterometallic Oximato-Bridged Linear Trinuclear Ni(II)-M(III)-Ni(II) (M(III) = Mn, Fe, Tb) Complexes Constructed with the fac-O3 [Ni(HL)3]– Metalloligand (H2L = pyrimidine-2-carboxamide oxime): A Theoretical and Experimental Magneto-Structural Study | Cerise Kalogridis, María A. Palacios, Antonio Rodríguez-Diéguez, Antonio J. Mota, Duane Choquesillo-Lazarte, Euan K. Brechin, Enrique Colacio | Eur. J. Inorg. Chem. | 2011 | 5225-5232 | 10.1002/ejic.201100700 | |
| Evaluation of WRF parameterizations for climate studies over Southern Spain using a multi-step regionalization | D. Argüeso, J.M. Hidalgo-Muñoz, S.R. Gámiz-Fortis, M.J. Esteban-Parra, J. Dudhia and Y. Castro-Díez | Journal of Climate | 2011 | 24(21) | 5633-5651 | 10.1175/JCLI-D-11-00073.1 |
| Water-based Hydrogen-Atom Wires as Mediators in Long-Range Proton-Coupled Electron Transfer in Enzymes: a New Twist on Water Reactivity | D. J. Cárdenas, J. M. Cuerva, M. Alías, E. Buñuel, A. G. Campaña | Chem. Eur. J. | 2011 | 17 | 8318–8323 | 10.1002/chem.201100964 |
| Dinámica y estabilidad de defectos en grafeno a temperatura finita | M.P. Ariza, R. Serrano, J.P. Méndez | Anales de Mecánica de la Fractura | 2011 | 2 | 553-558 | - |
| Synthetic and Structural Studies of Monocyclopentadienyl Cyclometalated Aryl Tantalum(V) Compounds | Miguel Galajov, Agustín Galindo, Carlos García, Manuel Gómez, Pilar Gómez-Sal, Andrés Parra | Dalton Trans. | 2011 | 40 | 8399–8406 | 10.1039/c1dt10223k |
| Chemical Reactivity and Electrochemistry of Metal-Metal Bonded Zincocenes | Mario Carrasco, Riccardo Peloso, Irene Resa, Amor Rodríguez, Luis Sánchez, Eleuterio Álvarez, Celia Maya, Rafael Andreu, Juan José Calvente, Agustín Galindo, Ernesto Carmona | Inorg. Chem. | 2011 | 50 | 6361-6371 | 10.1021/ic200816f |
| Evaluation of WRF parameterizations for climate studies over Southern Spain using a multi-step regionalization. | Argüeso, D.; Hidalgo-Muñoz, J.M.; Gámiz-Fortis, S.R.; Esteban-Parra, M.J.; Dudhia, J. and Y. Castro-Díez. | Journal of Climate | 2011 | 24 | 5633-5651 | 10.1175/JCLI-D-11-00073.1 |
| Fisher Information Study in Position and Momentum Spaces for Elementary Chemical Reactions | Sheila López-Rosa, Rodolfo O. Esquivel, Juan Carlos Angulo Juan Antolin, Jesús S. Dehesa, and Nelson Flores-Gallegos | Journal of Chemical Theory and Computation | 2010 | 6 | 145-154 | 10.1021/ct900544m |
| Weakening C–O Bonds: Ti(III), a New Reagent for Alcohol Deoxygenation and Carbonyl Coupling Olefination | H.R. Diéguez, A. Lopez, V. Domingo, J.F. Arteaga, J.A. Dobado, M.M. Herrador, J.F. Quilez del Moral, A.F. Barrero | Journal of the American Chemical Society | 2010 | 132 | 254–259 | 10.1021/ja906083c |
| Dinuclear alkoxo-bridged copper(II) coordination polymers: Syntheses and structural and magnetic properties | Petri Seppälä, Enrique Colacio, Antonio J. Mota, Reijo Sillanpää | Inorg. Chim. Acta | 2010 | 363 | 755-762 | 10.1016/j.ica.2009.11.035 |
| DFT Approach to Reaction Mechanisms through Molecular Complexes. The Case of an Organo-Catalysed Nucleosidation Reaction | Antonio J. Mota, Luis Álvarez de Cienfuegos, Rafael Robles, Jesús E. Perea-Buceta, Enrique Colacio, Vicente Timón, Alfonso Hernández-Laguna | J. Mol. Struct. : THEOCHEM | 2010 | 944 | 43-52 | 10.1016/j.theochem.2009.12.015 |
| Phenomenological Description of a Three-Center Insertion Reaction: An Information-Theoretic Study | R.O. Esquivel, N. Flores-Gallegos, J. S. Dehesa, J. C. Angulo, J. Antolín, S. López-Rosa, and K. D. Sen | J. Phys. Chem. A | 2010 | 114 | 1906–1916 | 10.1021/jp908898w |
| Phenomenological description of selected elementary chemical reaction mechanisms: An information-theoretic study | R.O. Esquivel, N. Flores-Gallegos, C. Iuga, E.M. Carrera , J.C. Angulo, J. Antolín | Physics Letters A | 2010 | 374 | 948–951 | 10.1016/j.physleta.2009.12.018 |
| Ab initio Study of Selected PAMAM Dendrimers: von Neumann Entropies Analysis | R.O. Esquivel, N. Flores-Gallegos, E.M. Carrera , C. Soriano-Correa | Journal of Nano Research | 2010 | 9 | 1-15 | 10.4028/www.scientific.net/JNanoR.9.1 |
| Reversible attachment of platinum alloy nanoparticles to non-functionalized carbon nanotubes | Ritz, B.; Heller, H.; Myalitsin, A.; Kornowski, A.; Martín-Martínez, F.; Melchor, S.; Dobado, J.; Hernandez-Juarez, B.; Weller, H.; Klinke, C. | ACS Nano | 2010 | 4 | 2438–2444 | 10.1021/nn100240c |
| Analysis of complexity measures and information planes of selected molecules in position and momentum spaces | Rodolfo O. Esquivel, Juan Carlos Angulo , Juan Antolín, Jesús S. Dehesa, Sheila López-Rosa and Nelson Flores-Gallegos | Physical Chemistry Chemical Physics | 2010 | 12 | 1-15 | 10.1039/b927055h |
| A convenient antibiotic indicator in the ozone treatment of wastewaters. An experimental and theoretical study | Antonio J. Mota, Gonzalo Prados-Joya, David Arráez-Román, Manuel Sánchez-Polo, Rafael Robles, Ma Ángeles Ferro-García, José Rivera-Utrilla | New J. Chem. | 2010 | 34 | 2205-2212 | 10.1039/c0nj00171f |
| Causes of energy destabilization in carbon nanotubes with topological defects | F.J. Martín-Martínez; S. Melchor; J.A. Dobado | Theoretical Chemistry Accounts | 2010 | 128 | 445-456 | 10.1007/s00214-010-0788-5 |
| Nonlinear metric perturbation enhancement of primordial gravitational waves | M. Bastero-Gil, J. Macias-Perez, D. Santos | Phys. Rev. Lett. | 2010 | 105 | 081301 | 10.1103/PhysRevLett.105.081301 |
| Molecular structure and spectroscopic properties of polyaromatic heterocycles by first principle calculations: spectroscopic shifts with the adsorption of thiophene on phyllosilicate surface. | C.I. Sainz-Díaz*, M. Francisco-Márquez, Annik Vivier-Bunge | Theoretical Chemistry Accounts | 2010 | 125 | 83-95 | 10.1007/s00214-009-0666-1 |
| Olefin epoxidation by hydrogen peroxide catalysed by molybdenum complexes in ionic liquids and structural characterisation of the proposed intermediate dioxoperoxomolybdenum species | Matthew Herbert, Eleuterio Álvarez, David J. Cole-Hamilton, Francisco Montilla, Agustín Galindo | Chemical Communications | 2010 | 46 | 5933 - 5935 | 10.1039/c0cc00462f |
| Theoretical and experimental study on the efectiveness of the 5-pyrimidyl-tetrazolate bridging ligand in mediating magnetic exchange interactions | Antonio J. Mota, A. Rodríguez-Diéguez, M. A. Palacios, J. M. Herrera, Dominique Luneau, Enrique Colacio | Inorg. Chem. | 2010 | 49 | 8986-8996 | 10.1021/ic101322s |
| Antiferromagnetic versus Ferromagnetic Exchange Interactions in Bis( μ-Ooximate)dinickel(II) Units for a Series of Closely Related Cube Shaped Carboxamideoximate-Bridged Ni4 Complexes. A Combined Experimental and Theoretical Magneto-Structural Study | M. A. Palacios, Antonio J. Mota, Jesús E. Perea-Buceta, Fraser J. White, Euan K. Brechin, Enrique Colacio | Inorg. Chem. | 2010 | 49 | 10156-10165 | 10.1021/ic101435b |
| A unique single carboxylate-bridged spin-frustrated chiral Mn(II) metallatriangle | Jesús E. Perea-Buceta, Antonio J. Mota, Jean-Pierre Costes, Reijo Sillanpää, J. Krzystek, Enrique Colacio | Dalton Trans. | 2010 | 39 | 10286-10292 | 10.1039/C0DT00613K |
| Synthesis and theoretical analysis of palladium complexes of polydimethylsiloxane functionalised pyridine and their catalytic activity in alcohol oxidations under low polar conditions | Matthew Herbert, Francisco Montilla, Agustín Galindo | Polyhedron | 2010 | 29 | 3287-3293 | 10.1016/j.poly.2010.09.004 |
| Comparison of the coordination capabilities of thiodiacetate and oxydiacetate ligands through the X-ray characterization and DFT studies of [V(O)(tda)(phen)]•4H2O and [V(O)(oda)(phen)]•1.5H2O | Lucía Álvarez, Abdessamad Grirrane, Raquel Moyano, Eleuterio Álvarez, Antonio Pastor, Agustín Galindo | Polyhedron | 2010 | 29 | 3028–3035 | 10.1016/j.poly.2010.08.015 |
| Natural Atomic Probabilities in Quantum Information Theory | Edmundo Carrera , Nelson Flores-Gallegos, and Rodolfo O. Esquivel | J Comp. Appl. Math. | 2010 | 233 | 1483-1490 | 10.1016/j.cam.2009.02.086 |
| Theoretic-Information Entropies Analysis of Nanostructures: Ab Initio Study of PAMAM Precursors and Dendrimers G0 to G3 | R. O. Esquivel, N. Flores-Gallegos, E. Carrera, J.S. Dehesa, J.C. Angulo, J. Antolín and C. Soriano-Correa | Molecular Simulation | 2009 | 35 | 498 - 511 | 10.1080/08927020902833087 |
| Anion encapsulation promoted by anion···pi interactions in rationally designed hexanuclear antiferromagnetic wheels: synthesis, structure and magnetic properties | Enrique Colacio, Hakima Aouryaghal, Antonio J. Mota, Joan Cano, Reijo Sillanpää, A. Rodríguez-Diéguez | CrystEngComm | 2009 | 11 | 2054-2064 | 10.1039/b906382j |
| Structure, magnetism and DFT studies of dinuclear and chain complexes containing the tetrazolate-5-carboxylate multidentate bridging ligand | Antonio Rodríguez-Diéguez, Antonio J. Mota, Joan Cano, José Ruiz, Duane Choquesillo-Lazarte, Enrique Colacio | Dalton Trans. | 2009 | 6335-6344 | 10.1039/b901415b | |
| Double and triple stranded mesocates containing the bis(bidentate) bridging ligand 1,3-bis(pyridine-2-carboxamide)benzene. Structure, properties and DNA interaction | Ma Angeles Palacios, Antonio Rodríguez-Diéguez, Angelo Sironi, Juan Manuel Herrera, Antonio J. Mota, Virtudes Moreno, Joan Cano, Enrique Colacio | New J. Chem. | 2009 | 33 | 1901-1908 | 10.1039/b905330a |
| Enhanced ferromagnetic interaction in metallacyclic complexes incorporating m-phenylenediamidato bridges | María A. Palacios, Antonio Rodríguez-Diéguez, Angelo Sironi, Juan Manuel Herrera, Antonio J. Mota, Joan Cano, Enrique Colacio | Dalton Trans. | 2009 | 8538-8547 | 10.1039/b903986d | |
| Influence of metal ions, Coligands and Reaction Conditions on the Structural Versatility and Properties of 5-pyrimidyl-tetrazolate Containing Complexes | Antonio Rodríguez Diéguez, Antonio J. Mota, José M. Seco, Mª Angeles Palacios, Antonio Romerosa and Enrique Colacio | Dalton Trans. | 2009 | 9578-9586 | 10.1039/b910811d | |
| A Combined Experimental and Theoretical Study on the Magnetic Properties of a Family of Bis(mu-phenoxido)dicopper(II) Complexes Bearing omega-[Bis(2-hydroxy-3,5-dimethylbenzyl)amino]alkan-1-ol Ligands | Oula Wichmann, Harri Sopo, Enrique Colacio, Antonio J. Mota, Reijo Sillanpää | Eur. J. Inorg. Chem. | 2009 | 4877-4886 | 10.1002/ejic.200900684 | |
| Phenomenological description of the transition state, and the bond breaking and bond forming processes of selected elementary chemical reactions: an information-theoretic study | R.O. Esquivel, N. Flores-Gallegos, C. Iuga, E. Carrera, J.C. Angulo, J. Antolín | Theoretical Chemistry Accounts | 2009 | 124 | 445-460 | 10.1007/s00214-009-0641-x |
| Palladium Motion in Cyclomeric Compounds: A Theoretical Study | Antonio J. Mota, Alain Dedieu | Inorg. Chem. | 2009 | 48 | 11131-11141 | 10.1021/ic901506v |
| Atmospheric lepton fluxes at ultrahigh energies | Jose I. Illana, Manuel Masip, Davide Meloni | Journal of Cosmology and Astroparticle Physics | 2009 | 0909 | 008 | 10.1088/1475-7516/2009/09/008 |
| Clar-Kekulé structuring in armchair carbon nanotubes | F.J. Martín-Martínez, S. Melchor, J.A. Dobado | Organic Letters | 2008 | 10 | 1991-1994 | 10.1021/ol800587s |
| Molecular Dynamics Simulation of the Heterodimeric mGluR2/5HT2A Complex. An Atomistic Resolution Study of a Potential New Target in Psychiatric Conditions | Agostino Bruno, Antonio Entrena Guadix and Gabriele Costantino | J. Chem. Inf. Model. | 2008 | 48 | 1792-1801 | 10.1021/ci800196h |