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Accurate crystal structures and chemical properties from NoSpherA2.
Kleemiss F, Dolomanov OV, Bodensteiner M, Peyerimhoff N, Midgley L, Bourhis LJ, Genoni A, Malaspina LA, Jayatilaka D, Spencer JL, White F, Grundkötter-Stock B, Steinhauer S, Lentz D, Puschmann H, Grabowsky S. Kleemiss F, et al. Among authors: dolomanov ov. Chem Sci. 2020 Nov 9;12(5):1675-1692. doi: 10.1039/d0sc05526c. Chem Sci. 2020. PMID: 34163928 Free PMC article.
Vanishing of the atomic form factor derivatives in non-spherical structural refinement - a key approximation scrutinized in the case of Hirshfeld atom refinement.
Midgley L, Bourhis LJ, Dolomanov OV, Grabowsky S, Kleemiss F, Puschmann H, Peyerimhoff N. Midgley L, et al. Among authors: dolomanov ov. Acta Crystallogr A Found Adv. 2021 Nov 1;77(Pt 6):519-533. doi: 10.1107/S2053273321009086. Epub 2021 Oct 29. Acta Crystallogr A Found Adv. 2021. PMID: 34726630
iotbx.cif: a comprehensive CIF toolbox.
Gildea RJ, Bourhis LJ, Dolomanov OV, Grosse-Kunstleve RW, Puschmann H, Adams PD, Howard JA. Gildea RJ, et al. Among authors: dolomanov ov. J Appl Crystallogr. 2011 Dec 1;44(Pt 6):1259-1263. doi: 10.1107/S0021889811041161. Epub 2011 Oct 29. J Appl Crystallogr. 2011. PMID: 22199401 Free PMC article.
A design strategy for four-connected coordination frameworks.
Dolomanov OV, Cordes DB, Champness NR, Blake AJ, Hanton LR, Jameson GB, Schröder M, Wilson C. Dolomanov OV, et al. Chem Commun (Camb). 2004 Mar 21;(6):642-3. doi: 10.1039/b315243j. Epub 2004 Feb 16. Chem Commun (Camb). 2004. PMID: 15010759