Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5413212 | Journal of Molecular Liquids | 2009 | 4 Pages |
Abstract
In this letter we use X-ray scattering data of liquid water, as obtained by different experimental and theoretical-computational procedures, to address the problem of quantitative modeling of the scattering signal in liquids. In particular we investigate the accuracy of well optimized water models in reproducing top level X-ray experimental results and compare experimental data variations with the ones given by different theoretical-computational models. Results show that the experimental scattering data have an intrinsic noise which is comparable to the deviations of the theoretical-computational signals, hence suggesting that no reliable refinement based on scattering data is possible for such models.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Marco D'Abramo, Ruggero Caminiti, Alfredo Di Nola, Andrea Amadei,