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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 | ene-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 | ene-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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 | 01-oct | 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 | |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 | - |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 | 01-dic | 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 | 01-dic | 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 | 01-dic | 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 | ? |
| 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 | ? |
| 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 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 |
| 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 | ene-16 | 10.1029/2011JD017399 |
| 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 |
| 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 |
| 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. |
| 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 |
| 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 | ene-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 | ene-15 | 10.1093/biomet/asv061 |
| 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 | ene-13 | 10.1016/j.electacta.2015.11.109 |
| 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 | 01-ago | 10.1109/TEMC.2016.2514379 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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, 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 | 01-ago | 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 |
| 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 |
| 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 |
| 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 | nov-21 | 10.1021/acs.organomet.7b00688 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
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| 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 | 01-jun | 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 |
| 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 |
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| 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 |
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| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
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| 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 | ene-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 |
| 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 |
| 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 |
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| 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 |
| 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 |
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| 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 |
| 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 |
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| 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 |
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| 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 |
| 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 |
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| 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 |
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| 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 |
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| 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 |
| 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 |
| 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 | 63 | e202400261 | 10.1002/anie.202400261 |
| Deep Learning Methods for Extracting Metaphorical Names of Flowers and Plants | Haddad Haddad, Amal; Premasiri, Damith; Ranashinhe, Tharindu; Mitkov, Ruslan | Procesamiento del Lenguaje Natural | 2023 | 261-271 | https://doi.org/10.26342/2023-71-20 | |
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| 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 | RETURN TO ISSUEPREVARTICLENEXT 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 Daphne Romani, Fabio Marchetti, Corrado Di Nicola, Massimiliano Cuccioloni, Chunmei Gong, Anna Maria Eleuteri, Agustín Galindo, Farzaneh Fadaei-Tirani, Massimo Nabissi, and Riccardo Pettinari | J. Med. Chem. | 2023 | 66 | 3212–3225 | acs.jmedchem.2c01374 |
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