Ibuprofen and sila-ibuprofen: polarization effects in the crystal and enzyme environments

Kleemiss, F.; Puylaert, P.; Duvinage, D.; Fugel, M.; Sugimoto, K.; Beckmann, J.; Grabowsky, S.

doi:10.1107/S2052520621009379

Acta Crystallographica Section B
Acta Crystallographica
Section B STRUCTURAL SCIENCE, CRYSTAL ENGINEERING AND MATERIALS

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Figure 12
Bar plots of the cumulative N_e for the bonds in vicinity of the carbon/silicon-exchange position in ibuprofen (top) and sila-ibuprofen (bottom).

STRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS

ISSN: 2052-5206

Volume 77| Part 6| December 2021| Pages 892-905

https://doi.org/10.1107/S2052520621009379

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