Publicaciones (88) Publicaciones en las que ha participado algún/a investigador/a

2000

  1. A mixed-valence mixed-spin Prussian-blue-like heptanuclear complex

    Angewandte Chemie - International Edition, Vol. 39, Núm. 16, pp. 2885-2887

  2. A novel dimer of oxo-di(acetato)-bridged manganese(III) dimers complex of potential biological significance

    Inorganic Chemistry Communications, Vol. 3, Núm. 7, pp. 361-367

  3. A rational design for imidazolate-bridged linear trinuclear compounds from mononuclear copper(II) complexes with 2-[((imidazol-2-ylmethylidene)amino)ethyl]pyridine (HL): Syntheses, structures, and magnetic properties of [Cu(L)(hfac)M(hfac)2Cu(hfac)(L)] (M = Zn(II), Cu(II), Mn(II))

    Inorganic Chemistry, Vol. 39, Núm. 13, pp. 2770-2776

  4. A theoretical determination of the low-lying electronic states of the p- benzosemiquinone radical anion

    Journal of the American Chemical Society, Vol. 122, Núm. 25, pp. 6067-6077

  5. A theoretical study of the low-lying states of the anionic and protonated ionic forms of urocanic acid

    Journal of Physical Chemistry A, Vol. 104, Núm. 38, pp. 8796-8805

  6. Ab initio and density-functional theory study of zeolite-catalyzed hydrocarbon reactions: Hydride transfer, alkylation and disproportionation

    Physical Chemistry Chemical Physics, Vol. 2, Núm. 14, pp. 3327-3333

  7. Ab initio study on the mechanism of the reactions of the nitrate radical with haloalkenes: 1,2-dichloroethene, 1,1-dichloroethene, trichloroethene, and tetrachloroethene

    Journal of Physical Chemistry A, Vol. 104, Núm. 48, pp. 11340-11346

  8. Ab initio study on the mechanism of tropospheric reactions of the nitrate radical with alkenes: propene

    Journal of Physical Chemistry A, Vol. 104, Núm. 26, pp. 6277-6286

  9. Ab initio study on the mechanism of tropospheric reactions of the nitrate radical with haloalkenes: Chloroethene

    Journal of the American Chemical Society, Vol. 122, Núm. 47, pp. 11585-11595

  10. Anisotropic double exchange in orbitally degenerate mixed valence systems

    Chemical Physics, Vol. 254, Núm. 2-3, pp. 275-285

  11. Análisis fractal de la estructura terciaria de las proteínas

    Encuentros en la Biología, Núm. 64

  12. Application of the open-shell size-consistent self-consistent singles and doubles configuration interaction method to multielectronic transitions in photoelectron spectra

    Theoretical Chemistry Accounts, Vol. 104, Núm. 3-4, pp. 252-256

  13. BABELPDB, extracción de información en la base de datos PDB para la enseñanza

    Cadernos do Laboratorio Xeolóxico de Laxe: Revista de xeoloxía galega e do hercínico peninsular, Núm. 25, pp. 285-287

  14. Band alignments in InxGa1-xP/GaAs heterostructures investigated by pressure experiments

    Physica Status Solidi (A) Applied Research, Vol. 178, Núm. 1, pp. 571-576

  15. Binuclear nickel(II) complexes based on bridging oxalate and pseudohalides as peripheral ligands: Synthesis, crystal structure, DFT calculations and magnetic properties of [{Ni(X)(dien)}2(μ-ox)]·nH2O complexes (X = N3-, NCS-, n = 0; NCO-, n = 1)

    European Journal of Inorganic Chemistry, pp. 2541-2547

  16. C5H7O2+ ions: The correlation between their thermochemistry in acidic solution and their chemistry in the gas phase

    Journal of Organic Chemistry, Vol. 65, Núm. 4, pp. 964-968

  17. Chains and channels in polynuclear copper(II) complexes with 2,3-bis(2-pyridyl)pyrazine (dpp) as bridging ligand; syntheses, crystal structures and magnetic properties

    Inorganica Chimica Acta, Vol. 310, Núm. 2, pp. 217-226

  18. Charge transfer salts of tetrathiafulvalene derivatives with magnetic iron(III) oxalate complexes: [TTF]7[Fe(ox)3]2·4H2O, [TTF]5[Fe2(ox)5]·2PhMe·2H 2O and [TMTTF]4[Fe2(ox)5]· PhCN·4H2O (TMTTF = tetramethyltetrathiafulvalene)

    Journal of the Chemical Society, Dalton Transactions, pp. 205-210

  19. Coexistence of ferromagnetism and metallic conductivity in a molecule-based layered compound

    Nature, Vol. 408, Núm. 6811, pp. 447-449

  20. Computational evidence in favor of a two-state, two-mode model of the retinal chromophore photoisomerization

    Proceedings of the National Academy of Sciences of the United States of America, Vol. 97, Núm. 17, pp. 9379-9384