Journal of Applied Crystallography
Journal of Applied
Crystallography
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J. Appl. Cryst.
(2008).
41
,
1140-1149
https://doi.org/10.1107/S0021889808033384
Download PDF of article
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Issue contents
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Optimal local axes and symmetry assignment for charge-density refinement
S. Domagala
and
C. Jelsch
Local axes systems are generated for multipole orientation in order to take the symmetry of the atoms fully into account.
Keywords:
ultra-high resolution
;
library
;
multipoles
;
electron density
;
charge-density distribution
;
computer programs
.
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