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Artículo
Electrochemical STM study of the adsorption of adenine on Au(111) electrodes
(Elsevier, 2013)
An electrochemical scanning tunneling microscopy (EC-STM) study of the adsorption of adenine on Au(111) electrodes was undertaken in the pH range between 1 and 7, aiming at achieving a deeper knowledge on the structure and ...
Artículo
Impact of the number of fitted Debye-Waller factors on EXAFS fitting
(IOP Publishing, 2013)
EXAFS fit applied to asymmetric systems may imply the fit of parameters for many scattering paths. We illustrate on some examples how fitting too many independent DWs may lead to incorrect distances and mask some structural ...
Tesis Doctoral
La hidratación de complejos plano-cuadrados de Cu (II): un estudio teórico a través de simulaciones de dinámica molecular
(2013-02-15)
En la presente tesis se abordará el estudio de complejos de Cu(II) en medio acuoso mediante Dinámica Molecular. Toda la información se ha estructurado en seis capítulos. En el primero de ellos se expone una breve introducción ...
Artículo
EXAFS Debye-Waller factors issued from Car-Parrinello molecular dynamics: Application to the fit of oxaliplatin and derivatives
(American Institute of Physics (AIP), 2013)
One of the main pitfalls in EXAFS fitting is correlation among parameters, which can lead to unreli- able fits. The use of theoretical Debye-Waller factors (DWs) is a promising way to reduce the number of fitted parameters. ...
Tesis Doctoral
Ceria for all seasons
(2013)
Within this chapter we have tried to highlight the importance, versatility and potential of ceria-based materials. We have seen how it is possible to tailor its properties modifying the synthesis process. Moreover, ceria ...
Artículo
AuNPs-DNA non-covalent interactions: improve of some studies and new avenues of research from negative results
(Universidade Federal do Espírito Santo, 2013)
Due to their chemical stability, high biocompatibility, excellent structural, optical, magnetic and catalytic properties, gold nanoparticles (AuNPs) have been widely used as therapeutics, delivery agents and transfection ...