Listar Artículos (Química Física) por título
Mostrando ítems 138-157 de 259
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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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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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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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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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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 ...
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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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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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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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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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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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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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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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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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Microheterogeneous catalysis
(MDPI, 2010)The catalytic effect of micelles, polymers (such as DNA, polypeptides) and nanoparticles, saturable receptors (cyclodextrins ...
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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 ...
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Mixed monolayer of a nucleolipid and a phospholipid has improved properties for spectroelectrochemical sensing of complementary nucleobases
(Elsevier, 2021)A mixed monolayer of 1,2-dipalmitoyl-sn-glycero-3-(cytidine diphosphate) nucleolipid (DG-CDP) and 1,2-dipalmitoyl-sn-glycero-3-phosphocholine ...
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Modeling the interactions of phthalocyanines in water: From the Cu(II)-tetrasulphonate to the metal-free phthalocyanine
(American Institute of Physics (AIP), 2011)A quantum and statistical study on the effects of the ions Cu2+ and SO3− in the solvent structure around the metal-free ...
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Molecular dynamics simulations of the role of salinity and temperature on the hydrocarbon/water interfacial tension
(Springer Verlag, 2017)Interfacial tension of some hydrocarbon/water systems, including a mixture of aliphatic and aromatic hydrocarbons, has ...
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Molecular modification of coumarin dyes for more efficient dye sensitized solar cells
(AIP Publishing, 2012-05)In this work, new coumarin based dyes for dye sensitized solar cells (DSSC) have been designed by introducing several ...
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Molecular recognition between guanine and cytosine-functionalized nucleolipid hybrid bilayers supported on gold (111) electrodes
(Elsevier, 2020-04)A hybrid bilayer lipid membrane (hBLM), constructed with a 1-hexadecanethiol self-assembled interior leaflet and a ...