Département
Química Física
Articles (26) Publications auxquelles un chercheur a participé
2009
-
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
-
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
-
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
-
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
-
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
-
Differential pulse voltammetry for ion transfer at liquid membranes with two polarized interfaces
Analytical Chemistry, Vol. 81, Núm. 11, pp. 4220-4225
-
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
-
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
-
Efficient parabolic evaluation of coupling terms in hybrid quantum/classical simulations
Chemical Physics, Vol. 358, Núm. 1-2, pp. 57-60
-
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
-
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
-
Hybrid quantum/classical simulation of the vibrational relaxation of the bend fundamental in liquid water
Journal of Chemical Physics, Vol. 131, Núm. 20
-
Hydrodynamic analysis of well-defined flexible linear macromolecules of low molar mass
Macromolecules, Vol. 42, Núm. 19, pp. 7447-7455
-
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
-
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
-
Ion transfer square wave voltammetry of ionic liquid cations with a solvent polymeric membrane ion sensor
Electroanalysis, Vol. 21, Núm. 21, pp. 2297-2302
-
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
-
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
-
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
-
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