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Updated: Aug 24, 2026

In situ Grazing Incidence Small Angle X-ray Scattering on Roll-To-Roll Coating of Organic Solar Cells with Laboratory X-ray Instrumentation
Published on: March 2, 2021
A comparison between experimental and theoretical aspherical-atom scattering factors for charge-density refinement of
Virginie Pichon-Pesme1, Christian Jelsch, Benoit Guillot
1LCM3B, CNRS - Faculté des Sciences et Techniques, Université Henri Poincaré, Nancy 1, BP 239, 54506 Vandoeuvre-lès-Nancy, France.
Abstract:
The differences between two databases describing the polypeptide main chain in terms of charge-density parameters, directly usable in protein structure refinements, are discussed. These databases contain averaged multipole populations of peptide pseudo-atoms obtained from refinement against theoretical simulated data and against high-resolution experimental data on small peptide or amino acid molecules. The main discrepancy becomes apparent when electrostatic properties are calculated.
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