Listar Artículos (Química Física) por título
Mostrando ítems 137-156 de 257
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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 ...
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Molecular solids of actinide hexacyanoferrate: Structure and bonding
(IOP Publishing, 2010)The hexacyanometallate family is well known in transition metal chemistry because the remarkable electronic delocalization ...