Publicacións (133) 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. Acute effects of an anatoxin-a producing cyanobacterium on juvenile fish-Cyprinus carpio L.

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

  19. Advanced studies for the application of high-performance capillary electrophoresis for the analysis of yessotoxin and 45-hydroxyyessotoxin

    Journal of Chromatography A, Vol. 1156, Núm. 1-2 SPEC. ISS., pp. 160-166

  20. An electrochemical model for gold colloid formation via citrate reduction

    Zeitschrift fur Physikalische Chemie, Vol. 221, Núm. 3, pp. 415-426