Química Física

2009

1. A multiscale scheme for the simulation of conformational and solution properties of different dendrimer molecules

   Journal of the American Chemical Society, Vol. 131, Núm. 24, pp. 8548-8556

2. A simple transient approach to dynamic metal speciation: Can independent of time complex voltammetric lability criteria be used?

   Electrochemistry Communications, Vol. 11, Núm. 3, pp. 562-567

3. Aerosol lidar intercomparison in the framework of SPALINETThe Spanish lidar network: Methodology and results

   IEEE Transactions on Geoscience and Remote Sensing, Vol. 47, Núm. 10, pp. 3547-3559

4. Analytical I-E response for several multistep potential techniques applied to an electrocatalytic process at mediator modified electrodes

   Electrochimica Acta, Vol. 54, Núm. 26, pp. 6154-6160

5. Density functional theory study of the stability and vibrational spectra of the β-carotene isomers

   Journal of Physical Chemistry A, Vol. 113, Núm. 36, pp. 9899-9907

6. Differential pulse voltammetry for ion transfer at liquid membranes with two polarized interfaces

   Analytical Chemistry, Vol. 81, Núm. 11, pp. 4220-4225

7. Double proton transfer mechanism in the adenine-uracil base pair and spontaneous mutation in RNA duplex

   Chemical Physics Letters, Vol. 484, Núm. 1-3, pp. 64-68

8. Effects of hydration on the proton transfer mechanism in the adenine-thymine base pair

   Journal of Physical Chemistry A, Vol. 113, Núm. 27, pp. 7892-7898

9. Efficient parabolic evaluation of coupling terms in hybrid quantum/classical simulations

   Chemical Physics, Vol. 358, Núm. 1-2, pp. 57-60

10. Electrocatalytic responses at mediator modified electrodes with several cyclic step and cyclic sweep potential techniques. Application to the oxidation of ascorbate at a ferrocene-monolayer modified gold electrode

    Analytical Chemistry, Vol. 81, Núm. 16, pp. 6830-6836

11. Electrochemical digital simulations with an exponentially expanding grid: General expressions for higher order approximations to spatial derivatives. The special case of four-point formulas and their application to multipulse techniques in planar and any size spherical electrodes

    Electrochimica Acta, Vol. 54, Núm. 3, pp. 1042-1055

12. Hybrid quantum/classical simulation of the vibrational relaxation of the bend fundamental in liquid water

    Journal of Chemical Physics, Vol. 131, Núm. 20

13. Hydrodynamic analysis of well-defined flexible linear macromolecules of low molar mass

    Macromolecules, Vol. 42, Núm. 19, pp. 7447-7455

14. Intermolecular proton transfer in microhydrated guanine-cytosine base Pairs: A new mechanism for spontaneous mutation in DNA

    Journal of Physical Chemistry A, Vol. 113, Núm. 39, pp. 10549-10556

15. Ion transfer across a liquid membrane. General solution for the current-potential response of any voltammetric technique

    Physical Chemistry Chemical Physics, Vol. 11, Núm. 8, pp. 1159-1166

16. Ion transfer square wave voltammetry of ionic liquid cations with a solvent polymeric membrane ion sensor

    Electroanalysis, Vol. 21, Núm. 21, pp. 2297-2302

17. Reverse Pulse Voltammetry at spherical electrodes: Simultaneous determination of diffusion coefficients and formal potentials. Application to Room Temperature Ionic Liquids

    Journal of Electroanalytical Chemistry, Vol. 634, Núm. 1, pp. 1-10

18. Rigorous analytical solution for EC mechanism in normal pulse voltammetry at spherical electrodes and microelectrodes

    International Journal of Electrochemical Science, Vol. 4, Núm. 10, pp. 1395-1406

19. Rigorous analytical solution for a preceding chemical reaction in Normal Pulse Voltammetry at spherical electrodes and microelectrodes

    Journal of Electroanalytical Chemistry, Vol. 633, Núm. 1, pp. 7-14

20. Simuflex: Algorithms and tools for simulation of the conformation and dynamics of flexible molecules and nanoparticles in dilute solution

    Journal of Chemical Theory and Computation, Vol. 5, Núm. 10, pp. 2606-2618