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Tesis Doctoral
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Análisis de la función de onda basados en sucesos colectivos electrónicos
(1995-10-20)
Se presenta una metodología rigurosa y general del análisis de la función de onda empleando la teoría de la probabilidad, la medida y el algebra. Se establecen las bases para una clasificación objetiva de los análisis de ...
Artículo
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Influence of temperature on the interaction between Pd clusters and the TiO2 (110) surface
(American Physical Review, 2007-08-06)
The behavior of a Pd nanocluster on the rutile TiO2 (110) surface has been analyzed by extensive first principles molecular dynamics simulations between 100 K and 1073 K. Calculations predict a steep change in the morphological ...
Tesis Doctoral
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Estructura electrónica y molecular de carbenos y estannilenos de zinc: fototransposición carbeno-carbino de zinc
(1994)
La química de los carbenos metálicos constituye un interesante campo de estudio dentro de la química organometálica debido a que estos compuestos exhiben unas propiedades especiales inherentes a la presencia formal de un ...
Artículo
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Molecular-dynamics simulations of premelting processes in Cr2O3
(American Physical Society, 1998)
Molecular-dynamics simulations of the (0001) surface Of Cr2O3 were carried out in the [300-2800 K] range of temperatures using a classical Pauling-type pair potential. The analysis of the structural data shows a strong ...
Artículo
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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 (DPPC) was transferred from the air–water interface onto an gold (1 1 1) electrode ...
Artículo
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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 vitro in a wide range of human diseases, particularly those mediated by free radicals, such as cancer, ...
Artículo
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Citrate and Polyvinylpyrrolidone Stabilized Silver Nanoparticles as Selective Colorimetric Sensor for Aluminum (III) Ions in Real Water Samples
(MDPI, 2020)
The use of silver nanoparticles stabilized with citrate and polyvinylpyrrolidone as a sensor for aluminum ions determination is proposed in this paper. These non-functionalized and specific nanoparticles provide a highly ...
Tesis Doctoral
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Microsolvatación de cationes en disolución. Desarrollo del modelo de ion hidratado intercambiable y su aplicación a la química de cationes radiactivos
(2010-12-20)
Aqua ions, of general formula [M(H2O)n ] m+, are the most common structures adopted by metal cations, Mm+, when chemical conditions inhibit the formation of hydrolyzed and polymerized derivatives. 1 The implicit net charge, ...
Artículo
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Theoretical study on the hydrophobic and hydrophilic hydration on large solutes: The case of phthalocyanines in water
(American Institute of Physics Publising LLC, 2015)
A theoretical study on the hydration phenomena of three representative Phthalocyanines (Pcs): the metal-free, H2Pc, and the metal-containing, Cu-phthalocyanine, CuPc, and its soluble sulphonated derivative, [CuPc(SO3)4]4−, ...