Artículos
- Reyes-Peces M.; Amaya-Dolores B.; Morales-Flórez V.; de-los-Santos D.; del Mar Mesa M.; Esquivias L.; de-la-Rosa-Fox N.; Piñero M.; Effect of the drying procedure on hybrid sono-aereogels for organic solvent remediation; [Influencia del procedimiento de secado en sono-aerogeles híbridos para la eliminación de solventes orgánicos]; Boletin de la Sociedad Espanola de Ceramica y Vidrio 63 (1), 11-22 (2024).
- De los Santos D.; Gallardo J.J.; Carrillo-Berdugo I.; Alcántara R.; Estellé P.; Gragera S.; Gragera M.; Navas J.; Nanofluids Based on Pd Nanoparticles and a Linear Silicone-Based Fluid: Toward Highly Efficient Heat Transfer Fluids for Concentrated Solar Power; ACS Sustainable Chemistry and Engineering 12 (6), 2375-2385 (2024).
- Rodríguez-Fernández M.; Gragera S.; Piñero J.C.; Alcántara R.; Navas J.; Photoluminescent Bi-doped CsPbX3 (X: Br, I) perovskite quantum dots for optoelectronic devices; MRS Bulletin (2024).
- Virués-Segovia J.R.; Pinedo C.; Zorrilla D.; Sánchez-Márquez J.; Sánchez P.; Ramos M.C.; de la Cruz M.; Aleu J.; Durán-Patrón R.; Discovery of new eremophilanes from the marine-derived fungus Emericellopsis maritima BC17 by culture conditions changes: evaluation of cytotoxic and antimicrobial activities; Frontiers in Marine Science 11, 1386175 (2024).
- Carrillo-Berdugo I.; Navas J.; Grau-Crespo R.; Probing the thermal resistance of solid-liquid interfaces in nanofluids with molecular dynamics; Journal of Chemical Physics 160 (1), 14706 (2024).
- Zahwa I.; Mouyane M.; Kassas A.; Ngueteu Kamlo A.; Moslah C.; Navas J.; Livraghi S.; Bernard J.; El Falah J.; Toufaily J.; Hamieh T.; Houivet D.; Flash combustion synthesis using two different fuels and characterization of LiF-doped TiO2 for the photocatalytic applications; Open Ceramics 17, 100562 (2024).
- Polo-Cuadrado E.; Ferrer K.; Sánchez-Márquez J.; Charris-Molina A.; Rodríguez-Núñez Y.A.; Espinoza-Catalán L.; Gutiérrez M.; Unexpected discovery: “A new 3,3′-bipyrazolo[3,4-b]pyridine scaffold and its comprehensive analysis”; Heliyon 10 (11), e32573 (2024).
- García-Casas I.; Valor D.; de los Santos D.M.; Pereyra C.; Montes A.; Processing antimicrobial CeO2-TiO2 nanocomposite using supercritical carbon dioxide; Journal of CO2 Utilization 80, 102667 (2024).
- Sánchez-Márquez J.; Morales-Bayuelo A.; A closer look to the bispericyclic transition structure leading to 4 + 2 and 2 + 4 cycloadducts in the endo dimerization of cyclopentadiene; International Journal of Quantum Chemistry 124 (1), e27291 (2024).
- Martínez-Merino P.; Hernández-Rodríguez M.A.; Piñero J.C.; Brites C.D.S.; Alcántara R.; Navas J.; Morphology does not matter: WSe2 luminescence nanothermometry unravelled; Nanoscale 16 (17), 8470-8478 (2024).
- Aguilar T.; Peña-Cordero M.D.; Carrillo-Berdugo I.; Alcántara R.; Navas J.; Synthesis and characterization of metal oxide-based microcapsules including phase change materials for energy storage applications; Journal of Thermal Analysis and Calorimetry 148 (9), 3189-3200 (2023).
- Reyes-Peces M.; Amaya-Dolores B.; Morales-Flórez V.; de-los-Santos D.; del Mar Mesa M.; Esquivias L.; de-la-Rosa-Fox N.; Piñero M.; Effect of the drying procedure on hybrid sono-aereogels for organic solvent remediation; [Influencia del procedimiento de secado en sono-aerogeles híbridos para la eliminación de solventes orgánicos]; Boletin de la Sociedad Espanola de Ceramica y Vidrio n/a, null-null (2023).
- Rodríguez-Fernández M.; Carlos Piñero J.; Alcántara R.; Navas J.; Colloidal suspensions of totally inorganic perovskites nanoparticles: A new photoluminescent emission in the near-IR; Journal of Molecular Liquids 384, 122194 (2023).
- Virués-Segovia J.R.; Millán C.; Pinedo C.; González-Rodríguez V.E.; Papaspyrou S.; Zorrilla D.; Mackenzie T.A.; Ramos M.C.; de la Cruz M.; Aleu J.; Durán-Patrón R.; New Eremophilane-Type Sesquiterpenes from the Marine Sediment-Derived Fungus Emericellopsis maritima BC17 and Their Cytotoxic and Antimicrobial Activities; Marine Drugs 21 (12), 634 (2023).
- García-Casas I.; Montes A.; de los Santos D.M.; Valor D.; Pereyra C.; de la Ossa E.M.; Generation of high-porosity cerium oxide nanoparticles and their functionalization with caryophyllene oxide using supercritical carbon dioxide; Journal of Supercritical Fluids 196, 105901 (2023).
- Sánchez-Márquez J.; Electronegativity equalization principle: new approaches and models for the study of chemical reactivity; Chemical Reactivity: Volume 2: Approaches and Applications 2, 227-242 (2023).
- Carrillo-Berdugo I.; Sampalo-Guzmán J.; Jesús Gallardo J.; Domínguez-Núñez A.; Aguilar T.; Martínez-Merino P.; Navas J.; Improving the efficiency of the concentrating solar power plants using heat transfer nanofluids with gold nanoplates: An analysis from laboratory to industrial scale; Journal of Molecular Liquids 376, 121415 (2023).
- Millán-Barba J.; Taylor A.; Bakkali H.; Alcantara R.; Lloret F.; de Villoria R.G.; Dominguez M.; Mortet V.; Gutiérrez M.; Araújo D.; Low temperature growth of nanocrystalline diamond: Insight thermal property; Diamond and Related Materials 137, 110070 (2023).
- Martínez-Merino P.; Alcántara R.; Navas J.; WSe2 nanowires-based nanofluids for concentrating solar power; Materials Today Chemistry 27, 101323 (2023).
- Sánchez-Márquez J.; Mondal H.; Patra S.G.; Morales-Bayuelo A.; Chattaraj P.K.; Local reactivity descriptors of the important atoms in chelotropic reactions provide insight into their global variants along the reaction path; International Journal of Quantum Chemistry 123 (15), e27129 (2023).
- Alaoui C.; Karmaoui M.; Bekka A.; Edelmannova M.F.; Gallardo J.J.; Navas J.; Touati W.; Kadi Allah I.; Figueiredo B.; Labrincha J.A.; Reli M.; Koci K.; Tobaldi D.M.; TiO2/WO3/graphene for photocatalytic H2 generation and benzene removal: Widely employed still an ambiguous system; Journal of Photochemistry and Photobiology A: Chemistry 445, 115020 (2023).
- Santos A.J.; Martin N.; Jiménez J.J.; Alcántara R.; Margueron S.; Casas-Acuña A.; García R.; Morales F.M.; Facile Fabrication of High-Performance Thermochromic VO2-Based Films on Si for Application in Phase-Change Devices; Chemistry of Materials 35 (11), 4435-4448 (2023).
- Sánchez-Fernández J.; Aguilar T.; Carrillo-Berdugo I.; Gallardo J.J.; Navas J.; Multifunctional microcapsules based on ZnO and n-octadecane: From thermal energy storage to photocatalytic activity; Materials Chemistry and Physics 299, 127501 (2023).
- Rodríguez-Fernández M.; Piñero J.C.; Alcántara R.; Gallardo J.J.; Navas J.; Emission properties of Pd-doped CsPbBr3 perovskite nanocrystal: Infrared emission due to the Pd-doping; Heliyon 9 (6), e16775 (2023).
- Amhal M.; Regragui A.; Rifki C.; Chaair H.; Montes A.; De Los Santos D.M.; Study of the Corrosion Resistance of Titanium Implants In Vitro According to Variations in Influencing Factors and Comparison with Cobalt-Chromium; Lecture Notes in Networks and Systems 605, 77-86 (2023).
- Reyes-Peces M.V.; Félix E.; Martínez-Vázquez F.J.; Fernández-Montesinos R.; Bomati-Miguel Ó.; Mesa-Díaz M.D.M.; Alcántara R.; Vilches-Pérez J.I.; Salido M.; De la Rosa-Fox N.; Piñero M.; Robocasting and Laser Micromachining of Sol-Gel Derived 3D Silica/Gelatin/β-TCP Scaffolds for Bone Tissue Regeneration; Gels 8 (10), 634 (2022).
- Sánchez-Márquez J.; Zorrilla Cuenca D.; Fernández Núñez M.; García Hernández V.J.; Introducing a new model based on electronegativity equalization principle for the analysis of the natural bond orbital reactivity in the c-DFT background; International Journal of Quantum Chemistry 122 (23), e26993 (2022).
- Carrillo-Berdugo I.; Sampalo-Guzmán J.; Domínguez-Núñez A.; Aguilar T.; Martínez-Merino P.; Navas J.; Are Nanofluids Suitable for Volumetric Absorption in PTC-CSP Plants? An Exemplified, Realistic Assessment with Characterized Metal-Oil Nanofluids; Energy and Fuels 36 (15), 8413-8421 (2022).
- Polo-Cuadrado E.; Ferrer K.; Forero-Doria O.; Morales-Bayuelo A.; Brito I.; Cisterna J.; Espinoza L.; Sánchez-Márquez J.; Gutiérrez M.; Single crystal structure, thermal stability and theoretical studies of ethyl 4-(4-(dimethylamino)phenyl)-3,6-dimethyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate; Journal of Molecular Structure 1260, 132826 (2022).
- Morales-Bayuelo A.; Sánchez-Márquez J.; Exploring the maximum Fukui function sites with the frontier-controlled soft-soft reactions using 1,3-dipolar cycloaddition reactions of nitrilium betaines; Journal of Molecular Modeling 28 (5), 116 (2022).
- Aguilar T.; Carrillo-Berdugo I.; Alcántara R.; Navas J.; Enhanced thermophysical properties in spinel CuFe2O4-based nanofluids for concentrated solar power; International Journal of Energy Research 46 (4), 4908-4918 (2022).
- Bernaoui C.R.; Bendraoua A.; Zaoui F.; Gallardo J.J.; Navas J.; Boudia R.A.; Djediai H.; Goual N.E.H.; Adjdir M.; Synthesis and characterization of NiFe2O4 nanoparticles as reusable magnetic nanocatalyst for organic dyes catalytic reduction: Study of the counter anion effect; Materials Chemistry and Physics 292, 126793 (2022).
- Seijas-Bellido J.A.; Samanta B.; Valadez-Villalobos K.; Gallardo J.J.; Navas J.; Balestra S.R.G.; Madero Castro R.M.; Vicent-Luna J.M.; Tao S.; Toroker M.C.; Anta J.A.; Transferable Classical Force Field for Pure and Mixed Metal Halide Perovskites Parameterized from First-Principles; Journal of Chemical Information and Modeling 62 (24), 6423-6435 (2022).
- Pinto A.A.; Barúa J.E.; Almeida M.O.; Viaud M.; Zorrilla D.; Collado I.G.; Macías-Sánchez A.J.; Durán-Patrón R.; Structural and biosynthetic studies of botrycinereic acid, a new cryptic metabolite from the fungus Botrytis cinerea; Bioorganic Chemistry 127, 105979 (2022).
- Carrillo-Berdugo I.; Sampalo-Guzmán J.; Grau-Crespo R.; Zorrilla D.; Navas J.; Interface chemistry effects in nanofluids: Experimental and computational study of oil-based nanofluids with gold nanoplates; Journal of Molecular Liquids 362, 119762 (2022).
- Martínez-Merino P.; Estellé P.; Alcántara R.; Carrillo-Berdugo I.; Navas J.; Thermal performance of nanofluids based on tungsten disulphide nanosheets as heat transfer fluids in parabolic trough solar collectors; Solar Energy Materials and Solar Cells 247, 111937 (2022).
- Martínez-Merino P.; Alcántara R.; Gómez-Larrán P.; Carrillo-Berdugo I.; Navas J.; MoS2-based nanofluids as heat transfer fluid in parabolic trough collector technology; Renewable Energy 188, 721-730 (2022).
- Guamán-Balcázar M.D.C.; Montes A.; Valor D.; Coronel Y.; De los Santos D.M.; Pereyra C.; Martínez de la Ossa E.J.; Inclusion of Natural Antioxidants of Mango Leaves in Porous Ceramic Matrices by Supercritical CO2 Impregnation; Materials 15 (17), 5934 (2022).
- De los Santos D.M.; Carrillo-Berdugo I.; Domínguez-Núñez A.; Poce-Fatou J.A.; Zorrilla D.; Navas J.; NiO nanowire-containing heat transfer nanofluids for CSP plants: Experiments and simulations to promote their application; Journal of Molecular Liquids 361, 119593 (2022).
- Kumar A.; López R.; Martínez F.; Ramírez G.; Ema I.; Zorrilla D.; Yeole S.D.; Gadre S.R.; DAMQT 3: Advanced suite for the analysis of molecular density and related properties in large systems; Computer Physics Communications 279, 108460 (2022).
- López-Iglesias D.; Fanelli F.; Marchi L.; Alcántara R.; Cocchi M.; Cubillana-Aguilera L.; Palacios-Santander J.M.; García-Guzmán J.J.; Ceramic polyaniline-carbon composite obtained by ultrasound-assisted sol–gel route: Electrochemical performance towards environmental pollutants; Journal of Electroanalytical Chemistry 905, 115971 (2022).
- Carrillo-Berdugo I.; Estellé P.; Sani E.; Mercatelli L.; Grau-Crespo R.; Zorrilla D.; Navas J.; Optical and Transport Properties of Metal-Oil Nanofluids for Thermal Solar Industry: Experimental Characterization, Performance Assessment, and Molecular Dynamics Insights; ACS Sustainable Chemistry and Engineering 9 (11), 4194-4205 (2021).
- Millán-Barba J.; Gutiérrez M.; Lloret F.; de Villoria R.G.; Alcántara R.; Haenen K.; Araujo D.; Study of Early Stages in the Growth of Boron-Doped Diamond on Carbon Fibers; Physica Status Solidi (A) Applications and Materials Science 218 (5), 2000284 (2021).
- Shamsuddin H.S.; Estellé P.; Navas J.; Mohd-Ghazali N.; Mohamad M.; Effects of surfactant and nanofluid on the performance and optimization of a microchannel heat sink; International Journal of Heat and Mass Transfer 175, 121336 (2021).
- Teymourinia H.; Gonzales C.; Gallardo J.J.; Salavati-Niasari M.; Bisquert J.; Navas J.; Guerrero A.; Interfacial Passivation of Perovskite Solar Cells by Reactive Ion Scavengers; ACS Applied Energy Materials 4 (2), 1078-1084 (2021).
- Torres E.; Carrillo-Berdugo I.; Zorrilla D.; Sánchez-Márquez J.; Navas J.; CuO-containing oil-based nanofluids for concentrating solar power: An experimental and computational integrated insight; Journal of Molecular Liquids 325, 114643 (2021).
- Morales-Bayuelo A.; Sánchez-Márquez J.; New insights about electronic mechanism of electrocyclic reactions: theoretical study about stereoselectivity in cyclobutenes; Heliyon 7 (4), e06675 (2021).
- Alba G.; Leinen D.; Villar M.P.; Alcántara R.; Piñero J.C.; Fiori A.; Teraji T.; Araujo D.; Comprehensive nanoscopic analysis of tungsten carbide/Oxygenated-diamond contacts for Schottky barrier diodes; Applied Surface Science 537, 147874 (2021).
- Carrillo-Berdugo I.; Grau-Crespo R.; Zorrilla D.; Navas J.; Interfacial molecular layering enhances specific heat of nanofluids: Evidence from molecular dynamics; Journal of Molecular Liquids 325, 115217 (2021).
- Aguilar T.; Carrillo-Berdugo I.; Martínez-Merino P.; Yasinskiy A.; Rodríguez-Fernández M.; Navas J.; Improving stability and thermal properties of TiO2-based nanofluids for concentrating solar energy using two methods of preparation; Journal of Thermal Analysis and Calorimetry 144 (3), 895-905 (2021).
- Bencherif S.D.; Gallardo J.J.; Carrillo‐berdugo I.; Bahmani A.; Navas J.; Synthesis, characterization and photocatalytic performance of calcined zncr‐layered double hydroxides; Nanomaterials 11 (11), 3051 (2021).
- García V.; Zorrilla D.; Fernández M.; Sánchez-Márquez J.; Property-oriented basis sets for computation of atomization energies; Journal of Computational Chemistry 42 (30), 2154-2162 (2021).
- Sánchez-Márquez J.; García V.; Zorrilla D.; Fernández M.; Software to obtain spatially localized functions from different radial functions; Journal of Computer-Aided Molecular Design 34 (3), 267-280 (2020).
- Martínez-Merino P.; Midgley S.D.; Martín E.I.; Estellé P.; Alcántara R.; Sánchez-Coronilla A.; Grau-Crespo R.; Navas J.; Novel WS2-Based Nanofluids for Concentrating Solar Power: Performance Characterization and Molecular-Level Insights; ACS Applied Materials and Interfaces 12 (5), 5793-5804 (2020).
- Reyes-Peces M.V.; Pérez-Moreno A.; De-Los-santos D.M.; Mesa-Díaz M.M.; Pinaglia-Tobaruela G.; Vilches-Pérez J.I.; Fernández-Montesinos R.; Salido M.; de la Rosa-Fox N.; Piñero M.; Chitosan-gptms-silica hybrid mesoporous aerogels for bone tissue engineering; Polymers 12 (11), 2723 (2020).
- Martínez-Merino P.; Sánchez-Coronilla A.; Alcántara R.; Martín E.I.; Carrillo-Berdugo I.; Gómez-Villarejo R.; Navas J.; The role of the interactions at the tungsten disulphide surface in the stability and enhanced thermal properties of nanofluids with application in solar thermal energy; Nanomaterials 10 (5), 970 (2020).
- Carrillo-Berdugo I.; Midgley S.D.; Grau-Crespo R.; Zorrilla D.; Navas J.; Understanding the Specific Heat Enhancement in Metal-Containing Nanofluids for Thermal Energy Storage: Experimental and Ab Initio Evidence for a Strong Interfacial Layering Effect; ACS Applied Energy Materials 3 (9), 9246-9256 (2020).
- Morales-Bayuelo A.; Sánchez-Márquez J.; Discerning the thermal cyclotrimerizations of fluoro- and chloroacetylenes through ELF, NBO descriptors and QTAIM analysis: pseudodiradical character; Heliyon 6 (7), e04441 (2020).
- Sánchez-Márquez J.; García V.; Zorrilla D.; Fernández M.; On Electronegativity, Hardness, and Reactivity Descriptors: A New Property-Oriented Basis Set; Journal of Physical Chemistry A 124 (23), 4700-4711 (2020).
- Gómez-Villarejo R.; Estellé P.; Navas J.; Boron nitride nanotubes-based nanofluids with enhanced thermal properties for use as heat transfer fluids in solar thermal applications; Solar Energy Materials and Solar Cells 205, 110266 (2020).
- Morales-Bayuelo A.; Sánchez-Márquez J.; Jana G.; Chattaraj P.K.; A conceptual DFT analysis of the plausible mechanism of some pericyclic reactions; Structural Chemistry 31 (5), 1745-1756 (2020).
- Alba G.; Pilar Villar M.; Alcántara R.; Navas J.; Araujo D.; Surface states of (100) o-terminated diamond: Towards other 1 × 1:O reconstruction models; Nanomaterials 10 (6), 1193 (2020).
- Gallardo J.J.; Blanco E.; Sánchez-Coronilla A.; Pinero J.C.; Navas J.; Tuning the structural, optical and photoluminescence properties of hybrid perovskite quantum dots by A-site doping; Applied Materials Today 18, 100488 (2020).
- Contreras-Bernal L.; Riquelme A.; Gallardo J.J.; Navas J.; Idígoras J.; Anta J.A.; Dealing with Climate Parameters in the Fabrication of Perovskite Solar Cells under Ambient Conditions; ACS Sustainable Chemistry and Engineering 8 (18), 7132-7138 (2020).
- Alba G.; Eon D.; Villar M.P.; Alcántara R.; Chicot G.; Cañas J.; Letellier J.; Pernot J.; Araujo D.; H-Terminated Diamond Surface Band Bending Characterization by Angle-Resolved XPS; Surfaces 3 (1), 61-71 (2020).
- Martínez-Merino P.; Sánchez-Coronilla A.; Alcántara R.; Martín E.I.; Navas J.; Insights into the stability and thermal properties of WSe2-based nanofluids for concentrating solar power prepared by liquid phase exfoliation; Journal of Molecular Liquids 319, 114333 (2020).
- García V.; Sánchez-Márquez J.; Torres E.; Zorrilla D.; Fernández M.; Spatially restricted Double Z-Simplified Box Orbital basis sets: Optimization and comparison with some standard basis sets; International Journal of Quantum Chemistry 120 (6), e26129 (2020).
- Yeste M.P.; Primus P.A.; Alcantara R.; Cauqui M.A.; Calvino J.J.; Pintado J.M.; Blanco G.; Surface characterization of two Ce0.62Zr0.38O2 mixed oxides with different reducibility; Applied Surface Science 503, 144255 (2020).
- Flores-Giubi M.E.; Botubol-Ares J.M.; Durán-Peña M.J.; Escobar-Montaño F.; Zorrilla D.; Sánchez-Márquez J.; Muñoz E.; Macías-Sánchez A.J.; Hernández-Galán R.; Bond reactivity indices approach analysis of the [2+2] cycloaddition of jatrophane skeleton diterpenoids from Euphorbia gaditana Coss to tetracyclic gaditanone; Phytochemistry 180, 112519 (2020).
- Martínez-Merino P.; Sani E.; Mercatelli L.; Alcántara R.; Navas J.; WSe2 Nanosheets Synthesized by a Solvothermal Process as Advanced Nanofluids for Thermal Solar Energy; ACS Sustainable Chemistry and Engineering 8 (3), 1627-1636 (2020).
- Perez-Moreno A.; Reyes-Peces M.L.V.; de los Santos D.M.; Pinaglia-Tobaruela G.; de la Orden E.; Vilches-Pérez J.I.; Salido M.; Piñero M.; de la Rosa-Fox N.; Hydroxyl groups induce bioactivity in silica/chitosan aerogels designed for bone tissue engineering. In vitro model for the assessment of osteoblasts behavior; Polymers 12 (12), 2802 (2020).
- Gallardo J.J.; Rodríguez-Fernández M.; Blanco E.; Outón J.; Navas J.; The effect of a complex A-site cation and mixed halides in the emission properties of perovskite quantum dots; Journal of Molecular Liquids 314, 113674 (2020).
- Aguilar T.; Sani E.; Mercatelli L.; Carrillo-Berdugo I.; Torres E.; Navas J.; Exfoliated graphene oxide-based nanofluids with enhanced thermal and optical properties for solar collectors in concentrating solar power; Journal of Molecular Liquids 306, 112862 (2020).
- Martín E.I.; Sánchez-Coronilla A.; Navas J.; Gómez-Villarejo R.; Alcántara R.; Fernández-Lorenzo C.; Influence of the Base Fluid and Surfactant Arrangement on the Enhancement of Heat Transfer in Metal–Nanofluids Used in Concentrating Solar Power Plants: A Molecular Level Perspective; Nanofluids and their Engineering Applications n/a, 389-404 (2019).
- Sánchez-Márquez J.; New advances in conceptual-DFT: an alternative way to calculate the Fukui function and dual descriptor; Journal of Molecular Modeling 25 (5), 123 (2019).
- Moslah C.; Aguilar T.; Alcántara R.; Ksibi M.; Navas J.; Synthesis of W-doped TiO2 by low-temperature hydrolysis: Effects of annealing temperature and doping content on the surface microstructure and photocatalytic activity; Journal of the Chinese Chemical Society 66 (1), 99-109 (2019).
- Pospisil J.; Guerrero A.; Zmeskal O.; Weiter M.; Gallardo J.J.; Navas J.; Garcia-Belmonte G.; Reversible Formation of Gold Halides in Single-Crystal Hybrid-Perovskite/Au Interface upon Biasing and Effect on Electronic Carrier Injection; Advanced Functional Materials 29 (32), 1900881 (2019).
- Polo E.; Arce-Parada V.; López-Cortés X.A.; Sánchez-Márquez J.; Morales-Bayuelo A.; Forero-Doria O.; Gutiérrez M.; Synthesis of pyrazolo-fused 4-azafluorenones in an ionic liquid. mechanistic insights by joint studies using DFT analysis and mass spectrometry; Catalysts 9 (10), 820 (2019).
- Sánchez-Márquez J.; García V.; Zorrilla D.; Fernández M.; New insights in conceptual DFT: New model for the calculation of local reactivity indices based on the Sanderson’s principle; International Journal of Quantum Chemistry 119 (7), e25844 (2019).
- Carrillo-Berdugo I.; Zorrilla D.; Sánchez-Márquez J.; Aguilar T.; Gallardo J.J.; Gómez-Villarejo R.; Alcántara R.; Fernández-Lorenzo C.; Navas J.; Interface-inspired formulation and molecular-level perspectives on heat conduction and energy storage of nanofluids; Scientific Reports 9 (1), 7595 (2019).
- Gallardo J.J.; Barea-Sepúlveda M.; Aguilar T.; Alcántara R.; Fernández-Lorenzo C.; Navas J.; Intrinsic stability analysis of perovskite nanopowder with double and triple cation in a site, FAxMA(1-x)PbI3 and FAxCsyMA(1-x-y)PbI3 ; Materials Research Bulletin 119, 110528 (2019).
- Zorrilla D.; Sánchez-Márquez J.; García V.; Fernández M.; Developing and Using a Computer Simulation of Liquid-Vapor Transitions to Improve Students’ Assimilation of Concepts Related to the Behavior of Real Gases; Journal of Chemical Education 96 (8), 1646-1653 (2019).
- Sánchez-Márquez J.; Correlations between Fukui Indices and Reactivity Descriptors Based on Sanderson’s Principle; Journal of Physical Chemistry A 123 (40), 8571-8582 (2019).
- Chahid S.; de los Santos D.M.; Alcántara R.; Dye-Sensitized Cu-Doped TiO2 Solar Cells with a Double Flat Band; Lecture Notes in Intelligent Transportation and Infrastructure Part F1405, 940-946 (2019).
- Fuentes-Soriano P.; Bellido-Milla D.; García-Guzmán J.J.; Hernández-Artiga M.P.; Gallardo-Bernal J.J.; Palacios-Santander J.M.; Espada-Bellido E.; A simple phosphorus determination in walnuts and assessment of the assimilable fraction; Talanta 204, 57-62 (2019).
- Martínez-Merino P.; Alcántara R.; Aguilar T.; Gallardo J.J.; Carrillo-Berdugo I.; Gómez-Villarejo R.; Rodríguez-Fernández M.; Navas J.; Stability and thermal properties study of metal chalcogenide-based nanofluids for concentrating solar power; Energies 12 (24), 4632 (2019).
- Chahid S.; Alcantara R.; Los Santos D.M.; Isotherm analysis for removal of organic pollutants Using Synthesized Mo/Cu/co-doped TiO Nanostrucrured; 2019 International Conference on Optimization and Applications, ICOA 2019 n/a, 8727623 (2019).
- Teruel M.; Aguilar T.; Martínez-Merino P.; Carrillo-Berdugo I.; Gallardo-Bernal J.J.; Gómez-Villarejo R.; Alcántara R.; Fernández-Lorenzo C.; Navas J.; 2D MoSe2-based nanofluids prepared by liquid phase exfoliation for heat transfer applications in concentrating solar power; Solar Energy Materials and Solar Cells 200, 109972 (2019).
- Gómez-Villarejo R.; Aguilar T.; Hamze S.; Estellé P.; Navas J.; Experimental analysis of water-based nanofluids using boron nitride nanotubes with improved thermal properties; Journal of Molecular Liquids 277, 93-103 (2019).
- Nikitin S.V.; Sánchez-Márquez J.; Oleynik I.I.; Oleynik I.; Bagryanskaya E.G.; A screening DFT study of the para-substituent effect on local hyper-softness in bis(phenoxy-imine) titanium complexes to get insights about their catalytic activity in ethylene polymerization; Molecular Catalysis 469, 57-67 (2019).
- Sánchez-Coronilla A.; Navas J.; Martín E.I.; Gómez-Villarejo R.; Aguilar T.; Gallardo J.J.; Teruel M.; Alcántara R.; Fernández-Lorenzo C.; Enhanced Thermophysical Properties of the Heat Transfer Fluids for Concentrating Solar Power by Using Metal-Based Nanofluids: An Experimental and Theoretical Overview; Nanofluids and their Engineering Applications n/a, 349-361 (2019).