Browsing Química Física by Title
Now showing items 201-220 of 358
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Article
Key Role of the Local Hydrophobicity in the East Patch of Plastocyanins on Their Thermal Stability and Redox Properties
(American Chemical Society, 2018)Understanding the molecular basis of the thermal stability and functionality of redox proteins has important practical ...
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Article
Light-Induced Control of the Spin Distribution on Cu⁻Dithiolene Complexes: A Correlated Ab Initio Study
(MDPI, 2019)Metal dithiolene complexes-M(dmit)₂-are key building blocks for magnetic, conducting, and optical molecular materials, ...
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Article
Light-induced spin transitions in copper-nitroxide-based switchable molecular magnets: insights from periodic DFT+U calculations
(Wiley, 2018)The electronic structure and magnetic interactions of three representative members of the breathing crystal Cu(hfac)2LR ...
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Article
Liquid methanol Monte Carlo simulations with a refined potential which includes polarizability, nonadditivity, and intramolecular relaxation
(American Institute of Physics Publising LLC, 2007)Monte Carlo simulations of liquid methanol were performed using a refined ab initio derived potential which includes ...
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Article
Local character of magnetic coupling in ionic solids
(American Physical Society, 1999)Magnetic interactions in ionic solids are studied using parameter-free methods designed to provide accurate energy ...
- PhD Thesis
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Article
Low pressure CO2 hydrogenation to methanol over gold nanoparticles activated on a CeOx/TiO2 Interface
(American Chemical Society, 2015)Capture and recycling of CO2 into valuable chemicals such as alcohols could help mitigate its emissions into the atmosphere. ...
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Article
Lysozyme–aunps interactions: Determination of binding free energy
(Multidisciplinary Digital Publishing Institute (MDPI), 2021)Investigation and optimization of lysozyme (Lys) adsorption onto gold nanoparticles, AuNPs, were carried out. The purpose ...
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Article
Measuring nanoparticle-induced resonance energy transfer effect by electrogenerated chemiluminescent reactions
(Royal Society of Chemistry, 2020)Electrogenerated chemiluminescence (ECL) efficiencies, redox potentials, photoluminescent (PL) (quenching and coupling) ...
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PhD Thesis
Mecanismo de oxidación del ácido ascórbico
(1972-12) - PhD Thesis
- PhD Thesis
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Article
Mechanism of Cu deposition on the α−Al2O3 (0001) surface
(American Physical Society, 2005-01-14)The growth mechanism of the Cu/α−Al2O3 (0001) interface is studied by first-principles molecular-dynamics simulations as ...
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Article
Metal-Metal Interactions in Trinuclear Copper(II) Complexes [Cu3(RCOO)4(H2TEA)2] and Binuclear [Cu2(RCOO)2(H2TEA)2]. Syntheses and Combined Structural, Magnetic, High-Field Electron Paramagnetic Resonance, and Theoretical Studies
(American Chemical Society, 2015)The trinuclear [Cu3(RCOO)4(H2TEA)2] copper(II) complexes, where RCOO- = 2-furoate (1), 2-methoxybenzoate (2), and ...
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Article
Metallo-Liposomes Derived from the [Ru(bpy)3]2+ Complex as Nanocarriers of Therapeutic Agents
(Multidisciplinary Digital Publishing Institute, 2021)The obtaining of nanocarriers of gene material and small drugs is still an interesting research line. Side-effects produced ...
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Article
Metallo-Liposomes of Ruthenium Used as Promising Vectors of Genetic Material
(MDPI, 2020)Gene therapy is a therapeutic process consisting of the transport of genetic material into cells. The design and preparation ...
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Article
Metalloenzyme-Inspired Ce-MOF Catalyst for Oxidative Halogenation Reactions
(American Chemical Society, 2021)The structure of UiO-66(Ce) is formed by CeO2–x defective nanoclusters connected by terephthalate ligands. The initial ...
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Patent
Método para la detección y/o cuantificación de polielectrolitos aniónicos.
(Oficina Española de Patentes y Marcas , 2012-11-29)La presente solicitud de patente se refiere a un método calorimétrico y kit para la detección y cuantificación de receptores ...
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Article
Microheterogeneous catalysis
(MDPI, 2010)The catalytic effect of micelles, polymers (such as DNA, polypeptides) and nanoparticles, saturable receptors (cyclodextrins ...
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Article
Microscopic origins of the ferromagnetic exchange coupling in oxoverdazyl-based Cu(II) complex
(American Institute of Physics Publising LLC, 2010)The exchange channels governing the experimentally reported coupling constant Jexpt=6 cm−1 value in the verdazyl-ligand ...