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Artículo
Study of ionic surfactants interactions with carboxylated single-walled carbon nanotubes by using ion-selective electrodes
(Elsevier, 2016)
Potentiometric measurements based on the use of ion-selective electrodes have been used to study the interaction (adsorption) of anionic and cationic surfactants with functionalized single-walled carbon nanotubes (SWCNT-COOH). ...
Artículo
Multi-scale multireference configuration interaction calculations for large systems using localized orbitals: Partition in zones
(American Institute of Physics Publising LLC, 2012)
A new multireference configuration interaction method using localised orbitals is proposed, in which a molecular system is divided into regions of unequal importance. The advantage of dealing with local orbitals, i.e., ...
Artículo
Electrolytic synthesis of chloroacetic acids in a filter-press reactor from polychloromethanes
(Elsevier, 2010)
Electrochemical carboxylation of carbon tetrachloride and chloroform to synthesize chloroacetic acids in mild conditions has been investigated by galvanostatic electrolyses using a homemade electrochemical filter-press ...
Artículo
The role of the magnetic orbitals in the calculation of the magnetic coupling constants from multireference perturbation theory methods
(American Institute of Physics Publising LLC, 2012)
The use of multireference perturbation theory (MRPT) for the calculation of the magnetic coupling in binuclear complexes has shown to give poor results if applied on a minimal active space complete active space self-consistent ...
Artículo
Graphenes as Efficient Metal-Free Fenton Catalysts
(Wiley-Blackwell, 2015)
Reduced graphene oxide exhibits high activity as Fenton catalyst with HO. radical generation efficiency over 82 % and turnover numbers of 4540 and 15023 for phenol degradation and H2O2 consumption, respectively. These ...
Artículo
Solving the Hydration Structure of the Heaviest Actinide Aqua IonKnown: The Californium(III) Case
(Wiley-Blackwell, 2010)
Wish they all could be californium: X-ray absorption spectroscopy (black points) and Monte Carlo simulations (blue line) of Cf" in aqueous solutions have been combined to determine the ligand distance and coordination ...
Artículo
La Universidad a análisis: las voces del alumnado con discapacidad
(2011)
En este artículo se presentan los resultados parciales de un estudio en curso1 que tiene el propósito de analizar las barreras y ayudas que los estudiantes con discapacidad identifican en la Universidad como institución y ...
Artículo
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−, ...
Artículo
When ruthenia met titania: achieving extraordinary catalytic activity at low temperature by nanostructuring of oxides
(Royal Society of Chemistry, 2015)
Nanostructured RuOx/TiO2(110) catalysts have a remarkable catalytic activity for CO oxidation at temperatures in the range of 350-375 K. On the other hand, the RuO2(110) surface has no activity. The state-of-the-art DFT ...
Artículo
Microheterogeneous catalysis
(MDPI, 2010)
The catalytic effect of micelles, polymers (such as DNA, polypeptides) and nanoparticles, saturable receptors (cyclodextrins and calixarenes) and more complex systems (mixing some of the above mentioned catalysts) have ...