Producción científica
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)
A continuación puede ver los artítculos científicos registrados hasta el momento.
| 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 |
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| 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 |
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| 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 |
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| 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 |
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| 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 |
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| 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 |