3.5. Classification and use of electron density data
P. R. Mallinson and I. D. Brown
Abstract
The electron density CIF dictionary (rhoCIF) provides terms suitable for a representation in software of the electron density distributions in crystals. It has been developed under the aegis of the IUCr Commission on Charge, Spin and Momentum Densities. The contents of the dictionary are adequate not only to record the results of experimental measurements, but also to represent a theoretical electron density that has been fitted with an appropriate model.
Links
Dictionaries
The following CIF dictionary is referenced in this chapter:
electron density CIF dictionarySoftware
The following program is referenced in this chapter:
XDReferences
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