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For any queries please contact the Organizing Committee at aicschool@cristallografia.org

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Programme

Due to the present health emergency in Italy and abroad, the AIC International School will be held online on THOLA virtual event platform. The AIC Commission on Crystallographic Teaching

 


Pre course (31/08/2021)
Mathematical Refresh
Massimo Nespolo, Gervais Chapuis
Main Topics: vectors including dots and cross product, matrix multiplication, waves, diffraction and interference phenomena, the probes of the structure of an ordered crystal to include X-rays, electrons and neutrons



Day 1 (01/09/2021)
Symmetry in Crystals
Massimo Nespolo
Main Topics: The ordered state of matter, symmetry operation


Diffraction from a crystal
Gervais Chapuis
Main Topics: Mathematical interpretation of the X-ray diffraction from a crystal, scattering by atoms, molecules and crystals, Bragg’s law, Miller indices, Ewald sphere.



Day 2 (02/09/2021)
Symmetry, Crystalline State and symmetry operations
Massimo Nespolo
Main Topics: Symmetry, Crystalline State and symmetry operation, International Tables



Day 3 (03/09/2021)
The physical and mathematical bases of solving the phase problem
Lukas Palatinus
Main Topics: The crystallographic phase problem, the Patterson function, the structure factor and its relationship to the diffracted intensity, structure factor normalization - E-values, ab initio phasing by direct methods and by dual space iterative algorithms.



Day 4 (04/09/2021)
Structure Refinement “Small Molecules”
Regine Herbst-Irmer
Main Topics: refinement, atom type assignment, space group ambiguities, disorder and twinning.


Structure Refinement “Macromolesules”
Isabel Uson
Main Topics: Macromolecular crystallography, experimental phasing, molecular replacement phasing; density modification; refinement: combination of Xray data and prior knowledge (restraints and constraints).


 

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