Publicacións (62) 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. Magnetic held dependence of elastic modulus and resistance in La 2/3 Ca 1/3 MnO 3

    Journal of Alloys and Compounds, Vol. 310, Núm. 1-2, pp. 44-46

  3. A direct-dynamics study of proton transfer through water bridges in guanine and 7-azaindole

    Journal of Chemical Physics, Vol. 112, Núm. 2, pp. 566-573

  4. A direct-dynamics study of the zwitterion-to-neutral interconversion of glycine in aqueous solution

    Journal of Chemical Physics, Vol. 113, Núm. 21, pp. 9714-9721

  5. 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

  6. Ab initio and RRKM calculations on the dissociation of the propionyl radical

    Journal of Molecular Structure, Vol. 556, Núm. 1-3, pp. 123-129

  7. Ab initio study of M(CH3CN)(n) clusters (M = Li+, Na+, Mg2+) in the gas phase

    Chemical Physics, Vol. 254, Núm. 1, pp. 11-23

  8. Ab initio study of interactions in methylamine clusters. the significance of cooperative effects

    Journal of Chemical Physics, Vol. 112, Núm. 5, pp. 2155-2163

  9. An ab initio study of the interaction in dimethylamine dimer and trimer

    Journal of Chemical Physics, Vol. 113, Núm. 21, pp. 9523-9531

  10. Analysis of the Cu2+-soil fulvic acid complexation by anodic stripping voltammetry using an electrostatic model

    Environmental Science and Technology, Vol. 34, Núm. 23, pp. 4969-4973

  11. Brownian dynamics simulation of linear chain growth

    Molecular Physics, Vol. 98, Núm. 15, pp. 1011-1023

  12. Conductivity of sodium bis(2-ethylhexyl)sulfosuccinate/isooctane/water microemulsions containing phase-transfer catalysts

    Journal of Chemical and Engineering Data, Vol. 45, Núm. 3, pp. 428-432

  13. Crystal structure of 3β,12α-dihydroxy-5β-cholan-24-oic acid (iso- deoxycholic acid)

    Journal of Molecular Structure, Vol. 523, Núm. 1-3, pp. 299-307

  14. DFT conformational study of cysteine in gas phase and aqueous solution

    Journal of Molecular Structure: THEOCHEM, Vol. 498, Núm. 1-3, pp. 191-200

  15. Dendritic growth of a supramolecular complex

    Angewandte Chemie - International Edition, Vol. 39, Núm. 16, pp. 2856-2858

  16. Determination of intrinsic complexation parameters for Cu2+ and a soil fulvic acid by ion selective electrode

    Chemical Speciation and Bioavailability, Vol. 12, Núm. 3, pp. 89-96

  17. Diffusion-influenced controlled reaction in an inhomogeneous medium: Small concentration of reagents

    Journal of Chemical Physics, Vol. 112, Núm. 19, pp. 8495-8501

  18. Direct dynamics simulation of the methanethiol cation decomposition

    Chemical Physics Letters, Vol. 324, Núm. 1-3, pp. 88-94

  19. Direct-dynamics approach to catalytic effects: The tautomerization of 3-hydroxyisoquinoline as a test case

    Journal of Chemical Physics, Vol. 113, Núm. 7, pp. 2662-2670

  20. Dynamic light scattering in transient reversible gels

    Langmuir, Vol. 16, Núm. 23, pp. 8585-8594