Centro de investigación
Centro de Nanociencia y Tecnologías Sostenibles (CNATS)
Artículos (27) Publicaciones en las que ha participado algún/a investigador/a
2002
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A computational study of the hydration of the OH radical
Journal of Physical Chemistry A, Vol. 106, Núm. 39, pp. 9104-9113
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A free energy minimisation study of the monoclinic-orthorhombic transition in MFI zeolite
Chemical Communications, pp. 2544-2545
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A quasiclassical trajectory and quantum mechanical study of the O(1D) + D2 reaction dynamics. Comparison with high resolution molecular beam experiments
Physical Chemistry Chemical Physics, Vol. 4, Núm. 18, pp. 4379-4385
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Aggregate formation in mixed monolayers at the air-water interface of metal-complex tetracationic water-soluble porphyrins attached to a phospholipid matrix
Physical Chemistry Chemical Physics, Vol. 4, Núm. 11, pp. 2329-2336
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Application of the cyclic semi-integral voltammetry and cyclic semi-differential voltammetry to the determination of the reduction mechanism of a Ni-porphyrin
Journal of Electroanalytical Chemistry, Vol. 523, Núm. 1-2, pp. 160-168
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Characterization and fast optical response to NO2 of porphyrin LB films
Materials Science and Engineering C, Vol. 22, Núm. 2, pp. 433-438
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Charge transport model for disordered materials: Application to sensitized (formula presented)
Physical Review B - Condensed Matter and Materials Physics, Vol. 65, Núm. 12, pp. 1-10
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Charge transport model for disordered materials: Application to sensitized TiO2
Physical Review B - Condensed Matter and Materials Physics, Vol. 65, Núm. 12, pp. 1253241-12532410
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Coarsening of metal oxide nanoparticles
Physical Review E - Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics, Vol. 66, Núm. 1
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Combining quantum and classical density functional theory for ion-electron mixtures
Journal of Non-Crystalline Solids, Vol. 312-314, pp. 60-68
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Entropy effects during sorption of alkanes in zeolites
Chemical Society Reviews, Vol. 31, Núm. 3, pp. 185-194
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Exploring the capabilities of x-ray absorption spectroscopy for determining the structure of electrolyte solutions: Computed spectra for Cr3+ or Rh3+ in water based on molecular dynamics
Journal of the American Chemical Society, Vol. 124, Núm. 36, pp. 10911-10920
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Gas phase molecular relaxation at very low temperatures. A comparative study of N2 and its mixtures with He and Ne
Vacuum, Vol. 64, Núm. 3-4, pp. 417-423
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Influence of molecular organization of asymmetrically substituted porphyrins on their response to NO2 gas
Langmuir, Vol. 18, Núm. 20, pp. 7594-7601
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Investigation of entropy effects during sorption of mixtures of alkanes in MFI zeolite
Chemical Engineering Journal, Vol. 88, Núm. 1-3, pp. 81-94
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Macrophage inducible nitric oxide synthase gene expression is blocked by a benzothiophene derivative with anti-HIV properties
Molecular Genetics and Metabolism, Vol. 75, Núm. 4, pp. 360-368
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Models of electron trapping and transport in polyethylene: Current-voltage characteristics
Journal of Applied Physics, Vol. 92, Núm. 2, pp. 1002-1008
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Molecular organization and electrochemical reduction of a Ni(II)porphyrin complex in LB films
Electrochemistry Communications, Vol. 4, Núm. 8, pp. 639-643
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Monte Carlo study of liquid crystal phases of hard and soft spherocylinders
Journal of Chemical Physics, Vol. 117, Núm. 6, pp. 2934
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Organization of an amphiphilic azobenzene derivative in monolayers at the air-water interface
Journal of Physical Chemistry B, Vol. 106, Núm. 10, pp. 2583-2591