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Acta Crystallographica. Section A, Foundations and Advances|June 12, 2026
From atoms to a data bank: optimizing transferability of electron-density symmetryPaulina Maria Rybicka, Marta Kulik, Vladislav Ignat'ev, et al.Acta Crystallographica. Section A, Foundations and Advances|March 2, 2019
Extension of the transferable aspherical pseudoatom data bank for the comparison of molecular electrostatic potentials in structure-activity studiesPrashant Kumar, Barbara Gruza, Sławomir Antoni Bojarowski, et al.Iucrj|August 15, 2024
On the structure refinement of metal complexes against 3D electron diffraction data using multipolar scattering factorsLaura Pacoste, Vladislav Mikhailovich Ignat'ev, Paulina Maria Dominiak, et al.Journal of Applied Crystallography|February 13, 2023
Aspherical atom refinements on X-ray data of diverse structures including disordered and covalent organic framework systems: a time-accuracy trade-offKunal Kumar Jha, Florian Kleemiss, Michał Leszek Chodkiewicz, et al.Journal of Chemical Information and Modeling|August 9, 2022
Multipolar Atom Types from Theory and Statistical Clustering (MATTS) Data Bank: Impact of Surrounding Atoms on Electron Density from Cluster AnalysisPaulina Maria Rybicka, Marta Kulik, Michał Leszek Chodkiewicz, et al.Acta Crystallographica. Section C, Structural Chemistry|August 6, 2019
Differences and similarities among hypoxanthinium nitrate hydrate structuresMałgorzata Katarzyna Cabaj, Roman Gajda, Anna Hoser, et al.Iucrj|July 30, 2024
Hirshfeld atom refinement and dynamical refinement of hexagonal ice structure from electron diffraction dataMichał Leszek Chodkiewicz, Barbara Olech, Kunal Kumar Jha, et al.Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials|August 25, 2020
TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction dataKunal Kumar Jha, Barbara Gruza, Prashant Kumar, et al.Acta Crystallographica. Section A, Foundations of Crystallography|February 18, 2011
Verification of structural and electrostatic properties obtained by the use of different pseudoatom databasesJoanna Maria Bąk, Sławomir Domagała, Christian Hübschle, et al.Journal of Chemical Information and Modeling|August 9, 2022
Multipolar Atom Types from Theory and Statistical Clustering (MATTS) Data Bank: Restructurization and Extension of UBDBKunal Kumar Jha, Barbara Gruza, Aleksandra Sypko, et al.Pageof 3