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International
Tables for Crystallography Volume G Definition and exchange of crystallographic data Edited by J. R. Hester and B. McMahon © International Union of Crystallography 2026 |
International Tables for Crystallography (2026). Vol. G. Early view chapter
https://doi.org/10.1107/97809553602060001017 Chapter 4.8 Electron density dictionary (rhoCIF)The data names defined in this dictionary are suitable for describing aspherical electron density distributions around atoms using a multipole model. Keywords: electron density Crystallographic Information File; electron density; rhoCIF dictionary; density functional theory; multipole expansion model. |
This chapter is in preparation
