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. This chapter is also available as HTML from the International Tables Online site hosted by the IUCr.
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© 2006 International Union of Crystallography
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Mallinson, P.R., Brown, I.D. (2006). Classification and use of electron density data. In: Hall, S.R., McMahon, B. (eds) International Tables for Crystallography Volume G: Definition and exchange of crystallographic data. International Tables for Crystallography, vol G. Springer, Dordrecht. https://doi.org/10.1107/97809553602060000737
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DOI: https://doi.org/10.1107/97809553602060000737
Publisher Name: Springer, Dordrecht
Print ISBN: 978-1-4020-3138-0
Online ISBN: 978-1-4020-4290-4