idUS - Browsing by Author "Provost, K."

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Article

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 ...
Article

Impact of the number of fitted Debye-Waller factors on EXAFS fitting

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 ...