Departament
QUÍMICA FÍSICA
Publicaciones (116) Publicaciones en las que ha participado algún/a investigador/a
2017
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"Though it be but little, it is fierce": Excited state engineering of conjugated organic materials by fluorination
Journal of Physical Chemistry Letters, Vol. 8, Núm. 1, pp. 91-101
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A DFT study on the chiral synthesis of R-phenylacetyl carbinol within the quantum chemical cluster approach
Chemical Physics Letters, Vol. 677, pp. 30-34
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A Voltammetric Electronic Tongue for the Quantitative Analysis of Quality Parameters in Wastewater
Electroanalysis, Vol. 29, Núm. 4, pp. 1147-1153
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A probe of steric ligand substituent effects on the spin crossover of Fe(II) complexes
Inorganic Chemistry Frontiers, Vol. 4, Núm. 8, pp. 1374-1383
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Adaptive Finite Temperature String Method in Collective Variables
Journal of Physical Chemistry A, Vol. 121, Núm. 51, pp. 9764-9772
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Advances in computational photochemistry and chemiluminescence of biological and nanotechnological molecules
Photochemistry, Vol. 44, pp. 16-60
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Ageing effect on the electrochemical properties in poly(azure A) films
Journal of the Electrochemical Society, Vol. 164, Núm. 9, pp. H593-H602
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Alternating current electrogravimetry of copper electrodissolution in a sulfuric acid solution
Electrochimica Acta, Vol. 235, pp. 374-383
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An experimental and theoretical investigation on the optical and photocatalytic properties of ZnS nanoparticles
Journal of Physics and Chemistry of Solids, Vol. 103, pp. 179-189
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Analysis for the morphology prediction of materials from first principles calculations
Crystal Growth: Concepts, Mechanisms and Applications (Nova Science Publishers, Inc.), pp. 119-164
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Aplicación de la Topología Molecular en la búsqueda de nuevos compuestos basados en Azaauronas derivados de las Auronas naturales como potenciales antimaláricos
Nereis: revista iberoamericana interdisciplinar de métodos, modelización y simulación, Núm. 9, pp. 49-62
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Blue-emitting cationic iridium(III) complexes featuring pyridylpyrimidine ligands and their use in sky-blue electroluminescent devices
Journal of Materials Chemistry C, Vol. 5, Núm. 37, pp. 9638-9650
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Bridging structure and real-space topology: Understanding complex molecules and solid-state materials
Recent Advances in Complex Functional Materials: From Design to Application (Springer International Publishing), pp. 427-454
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Calculation of restricted volume for nanoparticles that can point.
Nereis: revista iberoamericana interdisciplinar de métodos, modelización y simulación, Núm. 9, pp. 25-38
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Chapter 3: A Transition State Theory Perspective for Enzymatic Reactions: Fundamentals and Applications
RSC Theoretical and Computational Chemistry Series (Royal Society of Chemistry), pp. 54-88
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Chiral and Racemic Spin Crossover Polymorphs in a Family of Mononuclear Iron(II) Compounds
Inorganic Chemistry, Vol. 56, Núm. 21, pp. 13535-13546
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Complexation and electronic communication between corannulene-based buckybowls and a curved truxene-TTF donor
Chemistry - A European Journal, Vol. 23, Núm. 15, pp. 3666-3673
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Concerted Chemoselective Hydrogenation of Acrolein on Secondary Phosphine Oxide Decorated Gold Nanoparticles
ACS Catalysis, Vol. 7, Núm. 6, pp. 3949-3954
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Controlling hydrophobicity of silica nanocapsules prepared from organosilanes
Colloids and Surfaces A: Physicochemical and Engineering Aspects, Vol. 532, pp. 172-177
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Controlling the Host–Guest Interaction Mode through a Redox Stimulus
Angewandte Chemie - International Edition, Vol. 56, Núm. 51, pp. 16272-16276