Browsing by Author "Michalowicz, A."
EXAFS Debye-Waller factors issued from Car-Parrinello molecular dynamics: Application to the fit of oxaliplatin and derivatives Provost, K.; Beret, E. C.; Bouvet Muller, D.; Michalowicz, A.; Sánchez Marcos, Enrique (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 ...
Provost, K.; Beret, E. C.; Muller, D.; Sánchez Marcos, Enrique; Michalowicz, A. (IOP Publishing, 2013)
EXAFS fit applied to asymmetric systems may imply the fit of parameters for many scattering paths. We illustrate on some ...