Browsing Química Física by Title
Now showing items 274-293 of 358
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Article
Proposal of an extended t-J Hamiltonian for high-Tc cuprates from ab initio calculations on embedded clusters
(American Physical Society, 2001)A series of accurate ab initio calculations on CupOq finite clusters, properly embedded in the Madelung potential of the ...
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Article
Protein crosslinking improves the thermal resistance of plastocyanin immobilized on a modified gold electrode
(Elsevier, 2018-12)Increasing the thermal stability of immobilized proteins is a motivating goal for improving the performance of electrochemical ...
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Article
Proton transfer impedance of electrodes modified with acid thiol monolayers
(Elsevier, 2018-06)Analytical expressions describing the electrochemical impedance spectrum of a metallic electrode modified with an acid ...
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Quantitative Subtractively Normalized Interfacial Fourier Transform Infrared Reflection Spectroscopy Study of the Adsorption of Adenine on Au(111) Electrodes
(American Chemical Society, 2016)Quantitative subtractively normalized interfacial Fourier transform infrared reflection spectroscopy (SNIFTIRS) was used ...
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Article
((R)-(-)-3-Hydroxyquinuclidium)[FeCl4]; A Plastic Hybrid Compound with Chirality, Ferroelectricity and Long Range Magnetic Ordering
(Royal Society of Chemistry, 2021)Quinuclidinium salts and their derivatives are now in the focus of materials science as building units of multifunctional ...
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PhD Thesis
Reacciones de transferencia electrónica en sistemas micelares
(1999)El trabajo que a continuación se presenta es un intento de realizar un estudio de los efectos de los campos eléctricos ...
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PhD Thesis
Reacciones electroquimioluminiscentes y parámetros cielab: estudio de la interacción de especies biomédicas en dendrímeros y nanopartículas
(2016-07-14)La presente Tesis Doctoral, formulada en la modalidad de Tesis por Compendio de Publicaciones, constituye un estudio en ...
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Article
Recursos TICs para la evaluación del proceso enseñanza-aprendizaje en clases prácticas de laboratorio
(Real e Ilustre Colegio Oficial de Farmacéuticos de Sevilla, 2023)Recientemente, los recursos TICs han adquirido especial relevancia en la enseñanza universitaria debido a la gran variedad ...
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Redox-Active Hybrid Polyoxometalate-Stabilised Gold Nanoparticles
(Wiley, 2020)We report the design and preparation of multifunc-tional hybrid nanomaterials through the stabilization of goldnanoparticles ...
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Article
Reorganization energies for charge transfer reactions in binary mixtures of dipolar hard sphere solvents: A Monte Carlo study
(AIP Publishing, 1998-12)We study the behavior of the reorganization energy for simple charge transfer reactions in mixtures of dipolar hard sphere ...
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Article
Revisiting the cobalt(II) hydration from molecular dynamics and X-ray absorption spectroscopy
(Taylor & Francis, 2019)Solution chemistry of Co(II) is receiving a renewal attention due to the high interest for knowing the speciation in ...
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Article
Role of vacancies in the structural stability of α-TiO: a first-principles study based on density-functional calculations
(American Physical Society, 2005)Many transition-metal monoxides formally having an fcc rock-salt structure exhibit a relatively high degree of vacancies, ...
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Shape and size of simple cations in aqueous solutions: A theoretical reexamination of the hydrated ion via computer simulations
(American Institute of Physics Publising LLC, 1999)The simplest representation of monoatomic cations in aqueous solutions by means of a sphere with a radius chosen on the ...
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Article
Shedding light on the metal-phthalocyanine EXAFS spectra through classical and ab initio molecular dynamics
(American Institute of Physics, 2023)Extended X-Ray Absorption Fine Structure (EXAFS) theoretical spectra for some 3d transition metal-phthalocyanines–FePc, ...
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PhD Thesis
Simulación de la actividad del colorante en el proceso de captación de energía en celdas solares sensibilizadas
(2010-07-19)En este trabajo se han estudiado mediante métodos cuánticos que se describen en el capítulo 1 diferentes aspectos relacionados ...
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PhD Thesis
Simulación mediante dinámica molecular de óxidos metálicos en materiales refractarios
(1998)El objetivo de esta memoria se centra en la obtención de una metodología que permita simular las propiedades estructurales ...
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PhD Thesis
Simulación mediante el método de Monte Carlo de los efectos de disolventes binarios sobre reacciones de transferencia electrónica
(2000-12-01)Los resultados experimentales correspondientes a procesos de transferencia electrónica en disolventes mixtos (agua/co-disolvente ...
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Article
Single -and Multi-Walled Carbon Nanotubes as Nanocarriers for the Delivery of 7-Hydroxyflavone
(Multidisciplinary Digital Publishing Institute (MDPI), 2022)The research on flavonoids has exponentially grown since their first therapeutic evidence, in 1937. They are effective in ...
- PhD Thesis