Artigos (72) Publicacións nas que participase algún/ha investigador/a

2000

  1. A theoretical study of the P + + SH 2 reaction: Potential energy surfaces and reaction dynamics

    Journal of Physical Chemistry A, Vol. 104, Núm. 47, pp. 11095-11105

  2. (2,2′-Bipyridine-κ 2N)bis[N-(2-pyridyl-κN)-p-toluenesulfonamido-κN]zinc(II)

    Acta Crystallographica Section C: Crystal Structure Communications, Vol. 56, Núm. 3, pp. 293-295

  3. (Dicyclohexyldithiophosphinato-S,S′)-[2-(2-pyridyl-N)phenyl] mercury(II)

    Acta Crystallographica Section C: Crystal Structure Communications, Vol. 56, Núm. 2, pp. 182-183

  4. A comparative AIM study of alkyl monoethers and their protonated forms

    Chemical Physics Letters, Vol. 332, Núm. 5-6, pp. 474-480

  5. A novel approach for the virtual screening and rational design of anticancer compounds

    Journal of Medicinal Chemistry, Vol. 43, Núm. 10, pp. 1975-1985

  6. A pericyclic cascade to the stereocontrolled synthesis of 9-cis- retinoids

    Journal of Organic Chemistry, Vol. 65, Núm. 9, pp. 2696-2705

  7. A quantum chemical study of aniline/ammonia clusters. Thermodynamic properties and frequency analysis

    Journal of Molecular Structure: THEOCHEM, Vol. 497, Núm. 1-3, pp. 105-113

  8. Ab initio molecular analysis of dimethyl ether dimer. Thermodynamic properties

    Theoretical Chemistry Accounts, Vol. 105, Núm. 1, pp. 1-6

  9. Ab initio study and NBO interpretation of the anomeric effect in CH2(XH2)2 (X = N, P, As) compounds

    Journal of Physical Chemistry A, Vol. 104, Núm. 41, pp. 9362-9369

  10. Aim study on the transferability of the oxygen atom in linear ethers

    Canadian Journal of Chemistry, Vol. 78, Núm. 12, pp. 1535-1543

  11. An Ab Initio Interpretation in Gas Phase and Aqueous Solution of the Generalized Anomeric Effect in R - O - CR2 - NR2 (R = H, CH3)

    Journal of Computational Chemistry, Vol. 21, Núm. 6, pp. 462-477

  12. An ab initio polarizable intermolecular potential for dimethyl ether: Application to liquid simulations

    Chemical Physics, Vol. 262, Núm. 2-3, pp. 423-436

  13. Badger's rule revisited

    Chemical Physics Letters, Vol. 331, Núm. 5-6, pp. 497-501

  14. Benzeneselenolates of mercury(II). Crystal and molecular structures of [Hg(SePh)2] and (Bu4N)[Hg(SePh)3]

    Zeitschrift fur Anorganische und Allgemeine Chemie, Vol. 626, Núm. 3, pp. 784-788

  15. Bis[2-(diphenylphosphinoyl)benzene] disulfide

    Acta Crystallographica Section C Crystal Structure Communications, Vol. 56, Núm. 3, pp. e101-e102

  16. Chemometric approach for the optimization of a flow injection manifold applied to the determination of total Hg in seafood by cold vapor AAS

    Atomic Spectroscopy, Vol. 21, Núm. 6, pp. 229-233

  17. Comparison between sequential extraction procedures and single extractions for metal partitioning in sewage sludge samples

    Analyst, Vol. 125, Núm. 7, pp. 1353-1357

  18. Comparison of ultrasound-assisted extraction and microwave-assisted digestion for determination of magnesium, manganese and zinc in plant samples by flame atomic absorption spectrometry

    Talanta, Vol. 53, Núm. 2, pp. 433-441

  19. Competitive homolytic and heterolytic dediazoniation mechanisms: Rate constants and product distribution of methoxy-, hydroxy-, and hydro-dediazoniation of 3- and 4-methylbenzenediazonium salts in acidic MeOH/H2O mixtures

    International Journal of Chemical Kinetics, Vol. 32, Núm. 4, pp. 210-220

  20. Complexes of group 12 metal dihalides with 2-acetylpyridine-N-oxide 4N-methylthiosemicarbazone (H4MLO). The crystal structures and organization of [Zn(H4MLO)X2] (X = Br, I)

    Zeitschrift fur Anorganische und Allgemeine Chemie, Vol. 626, Núm. 4, pp. 878-884