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A previously unknown cyclic alkanolamine and molecular ranking using the pair distribution function

Subjects: Chemistry; Metals and Alloys; Ab initio

  • Source: Acta crystallographica / B 77(6), 986-995 (2021). doi:10.1107/S2052520621010088Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials

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

Subjects: Enthalpy; sila-ibuprofen; Crystal

  • Source: Acta Crystallographica Section B, Structural Science, Crystal Engineering and MaterialsKleemiss, Florian; Puylaert, Pim; Duvinage, Daniel; Fugel, Malte; Sugimoto, Kunihisa; Beckmann, Jens;

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