Departament
QUÍMICA FÍSICA
Publicaciones (46) Publicaciones en las que ha participado algún/a investigador/a
1998
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AMYR 2: A new version of a computer program for pair potential calculation of molecular associations
Computer Physics Communications, Vol. 115, Núm. 1, pp. 87-89
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Ab initio study on the mechanism of tropospheric reactions of the nitrate radical with alkenes: Ethene
Journal of Organic Chemistry, Vol. 63, Núm. 20, pp. 6978-6983
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Amino acid chemistry in solution: Structural study and vibrational dynamics of glutamine in solution. An ab initio reaction field model
Journal of Physical Chemistry B, Vol. 102, Núm. 32, pp. 6290-6298
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Aminoacid zwitterions in solution: Geometric, energetic, and vibrational analysis using density functional theory-continuum model calculations
Journal of Chemical Physics, Vol. 109, Núm. 2, pp. 592-603
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Antimicrobial activity characterization in a heterogeneous group of compounds
Journal of Chemical Information and Computer Sciences, Vol. 38, Núm. 3, pp. 445-449
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Association between hydrophobically modified polyanions and negatively charged bovine serum albumin
Journal of Physical Chemistry B, Vol. 102, Núm. 7, pp. 1327-1333
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Benzoannulated quinone-type electron acceptors: Evolution of the molecular and electronic structures upon reduction
Journal of Molecular Structure: THEOCHEM, Vol. 426, Núm. 1-3, pp. 135-143
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Bis-cyclic crown ether derived from biphenyl. Different behaviour in complexing Hg(SCN)2 and Hg(CN)2
Supramolecular Chemistry, Vol. 9, Núm. 3, pp. 211-219
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Characterizing cavities in model inclusion molecules: A comparative study
Journal of Molecular Graphics and Modelling, Vol. 16, Núm. 2, pp. 57-71
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Chloride role in the surface of nickel electrode
Electrochimica Acta, Vol. 44, Núm. 6-7, pp. 957-965
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Designing sedative/hypnotic compounds from a novel substructural graph-theoretical approach
Journal of Computer-Aided Molecular Design, Vol. 12, Núm. 6, pp. 583-595
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Determination of the electroactive area of graphite + polyethylene composite electrodes. Uncompensated resistance effects and convolution analysis of chronoamperograms
Journal of Electroanalytical Chemistry, Vol. 443, Núm. 1, pp. 41-48
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Difficulties of density functional theory in predicting the torsional potential of 2,2′-bithiophene
International Journal of Quantum Chemistry, Vol. 70, Núm. 2, pp. 303-312
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Donor-π-acceptor species derived from functionalised 1,3-dithiol-2- ylidene anthracene donor units exhibiting photoinduced electron transfer properties: Spectroscopic, electrochemical, X-ray crystallographic and theoretical studies
Chemistry - A European Journal, Vol. 4, Núm. 12, pp. 2580-2592
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Dynamic light scattering and rheology of associating sulfonated polystyrene ionomers in non-polar solvents
Polymer, Vol. 39, Núm. 8-9, pp. 1525-1532
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Effect of pore-modifier graphite on the performance of a zinc titanate sorbent in hot coal gas desulfurization
Energy and Fuels, Vol. 12, Núm. 2, pp. 409-415
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Electrochemical behavior of electrodeposited Prussian blue films on ITO electrodes: An attractive laboratory experience
Journal of Chemical Education, Vol. 75, Núm. 7, pp. 881-884
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Electrochemical behaviour of poly(neutral red) on an ITO electrode
Journal of Electroanalytical Chemistry, Vol. 446, Núm. 1-2, pp. 47-55
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Electrochemical impedance spectroscopy of conductor-insulator composite electrodes: Properties in the blocking and diffusive regimes
Journal of Electroanalytical Chemistry, Vol. 444, Núm. 2, pp. 173-186
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Evaluation of thermodynamic parameters for blends of polyethersulfone and poly(methyl methacrylate) or polystyrene in dimethylformamide
Polymer, Vol. 39, Núm. 17, pp. 4023-4032