Software Development

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Research Interest

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Instrumentation

The XD Programming Package

UBDB-Buffalo Aspherical Atom Databank

Dr. Coppens' Group

Crystallographic Links



Relativistic Scattering Factors

Relativistic Scattering Factors for Ions

Analytical Fit to Relativistic Scattering Factors

Analytical Fit to Relativistic Scattering Factors for Ions

Analytical Wave Functions for Relativistic Atoms

 

     XD is a comprehensive program for refinement of accurate X-ray diffraction data based on the Hansen-Coppens aspherical-atom scattering formalism. It allows extensive interpretation of the results including topological analysis and calculation of intermolecular interactions. A new release is now available. See xd.chem.buffalo.edu