Publicacións (148) Publicacións nas que participase algún/ha investigador/a

2007

  1. Metal complexes with a new ethyl acetate pendant-armed macrocyclic ligand - Crystal structures of [MnL](ClO 4 ) 2 and [NiL](ClO 4 ) 2 ·CH 3 CN

    Zeitschrift fur Anorganische und Allgemeine Chemie, Vol. 633, Núm. 11-12, pp. 1842-1846

  2. (E)-4,4′-(But-2-ene-1,4-diyldioxy)bis-(3-methoxybenzaldehyde)

    Acta Crystallographica Section E: Structure Reports Online, Vol. 63, Núm. 5

  3. 1-(Acetonyl)-3-(2-thienylmethyl)-4-(4H-1,2,4-triazol-4-yl)-1H-1,2, 4-triazol-5(4H)-one

    Acta Crystallographica Section E: Structure Reports Online, Vol. 63, Núm. 5

  4. 1-(Benzoylmethyl)-4-[(2,4-dichloro-benzylidene)amino]-3-(2-thienylmethyl) -4,5-dihydro-1H-1,2,4-triazol-5-one

    Acta Crystallographica Section E: Structure Reports Online, Vol. 63, Núm. 6

  5. 2D-autocorrelation descriptors for predicting cytotoxicity of naphthoquinone ester derivatives against oral human epidermoid carcinoma

    Bioorganic and Medicinal Chemistry, Vol. 15, Núm. 10, pp. 3565-3571

  6. 4-[3-(1H-Imidazol-1-yl)propyl]-3-phenyl-1H-1,2,4-triazol-5(4H)-one

    Acta Crystallographica Section E: Structure Reports Online, Vol. 63, Núm. 5

  7. A DFT study of the [4+2] cycloadditions of conjugated ketenes (vinylketene, imidoylketene and formylketene) with formaldimine. The pericyclic or pseudopericyclic character from magnetic properties

    Tetrahedron, Vol. 63, Núm. 23, pp. 4937-4943

  8. A comparative theoretical study of the pericyclic-pseudopericyclic character in a group of cyclizations of dienylketenes to cyclohexadienones

    Journal of Physical Chemistry A, Vol. 111, Núm. 15, pp. 2935-2940

  9. A comprehensive description of chemical association effects on second derivative properties of alcohols through a SAFT-VR approach

    Journal of Physical Chemistry B, Vol. 111, Núm. 13, pp. 3447-3461

  10. A computational study of the electrocyclization of o-divinylbenzene and derivatives

    Journal of Molecular Structure: THEOCHEM, Vol. 811, Núm. 1-3, pp. 141-151

  11. A computational study on the stacking interaction in quinhydrone

    Journal of Physical Chemistry A, Vol. 111, Núm. 10, pp. 1998-2001

  12. A density functional theory study of the hydrogen bond interactions in glycine dimers

    Chemical Physics Letters, Vol. 445, Núm. 4-6, pp. 117-124

  13. A density functional theory study of the stille cross-coupling via associative transmetalation. the role of ligands and coordinating solvents

    Advanced Synthesis and Catalysis, Vol. 349, Núm. 6, pp. 887-906

  14. A density functional theory study on pelargonidin

    Journal of Physical Chemistry A, Vol. 111, Núm. 43, pp. 11100-11109

  15. A dynamical study of the Si+ + H2O reaction

    Journal of Physical Chemistry A, Vol. 111, Núm. 43, pp. 10899-10906

  16. A theoretical study of the influence of BF3 on the reaction path of the [4+2] cycloaddition of vinylketene with formaldimine

    Tetrahedron, Vol. 63, Núm. 47, pp. 11617-11621

  17. ANN-QSAR model for selection of anticancer leads from structurally heterogeneous series of compounds

    European Journal of Medicinal Chemistry, Vol. 42, Núm. 5, pp. 580-585

  18. ANYL 109-Development and optimization of immunoassays for the determination of microcystins as natural contaminants of freshwaters

    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY

  19. Accurate global thermophysical characterization of hydrofluoroethers through a statistical associating fluid theory variable range approach, based on new experimental high-pressure volumetric and acoustic data

    Industrial and Engineering Chemistry Research

  20. Acute effects of an anatoxin-a producing cyanobacterium on juvenile fish-Cyprinus carpio L.

    Toxicon, Vol. 49, Núm. 5, pp. 693-698