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Page 1
Quantum crystallography.
Grabowsky S, Genoni A, Bürgi HB. Grabowsky S, et al. Among authors: genoni a. Chem Sci. 2017 Jun 1;8(6):4159-4176. doi: 10.1039/c6sc05504d. Epub 2017 Mar 27. Chem Sci. 2017. PMID: 28878872 Free PMC article. Review.
Remarks on X-ray constrained/restrained wavefunction fitting.
Bürgi HB, Genoni A. Bürgi HB, et al. Among authors: genoni a. Acta Crystallogr B Struct Sci Cryst Eng Mater. 2022 Jun 1;78(Pt 3 Pt 1):298-304. doi: 10.1107/S2052520622004164. Epub 2022 May 24. Acta Crystallogr B Struct Sci Cryst Eng Mater. 2022. PMID: 35695103
Quantum Crystallography: Current Developments and Future Perspectives.
Genoni A, Bučinský L, Claiser N, Contreras-García J, Dittrich B, Dominiak PM, Espinosa E, Gatti C, Giannozzi P, Gillet JM, Jayatilaka D, Macchi P, Madsen AØ, Massa L, Matta CF, Merz KM Jr, Nakashima PNH, Ott H, Ryde U, Schwarz K, Sierka M, Grabowsky S. Genoni A, et al. Chemistry. 2018 Aug 1;24(43):10881-10905. doi: 10.1002/chem.201705952. Epub 2018 Jul 13. Chemistry. 2018. PMID: 29488652
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: genoni a. Chem Sci. 2020 Nov 9;12(5):1675-1692. doi: 10.1039/d0sc05526c. Chem Sci. 2020. PMID: 34163928 Free PMC article.
51 results