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Figure 2
Molecular and local symmetry used to generate constraints for refinement of transferrable multipoles. Molecular symmetry (multipoles and kappas of equivalent atoms constrained to be equal) are shown as thick lines and local symmetries of atomic environments (multipoles constrained to local mirror symmetry) are shown as thin lines.

Volume 8| Part 4| July 2021| Pages 644-654
ISSN: 2052-2525