What is Quantum Crystallography?
The purpose of this introductory talk is to find answers to the title, by provoking the audience and the speakers with some fundamental questions of what is the inner connection between crystals and quantum mechanics? what is a quantum crystal?
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Defining Tools for Complex Small Molecules to Enable Assessment of Quality and Appropriate Reuse of Data
An important, but often difficult to evaluate, aspect of small molecule crystallographic structure analysis is an understanding of how a refinement has been performed. One of the tools tha can be used is to evaluate the likelihood of a given bond in a structure, and from this calculate the total likelihood of the structure
Read MoreOn the difference between neutrons and X-rays ADPs: experiences and observations
Although the theory behind single-crystal diffraction is exactly the same independently of using neutrons or x-rays, the two probes are sensitive to very different constituents of the same crystal: nuclei and electron clouds respectively
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