Publications by authors named "Barbara Gruza"

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Multipolar Atom Types from Theory and Statistical Clustering (MATTS) Data Bank: Restructurization and Extension of UBDB.
Kunal Kumar Jha, Barbara Gruza, Aleksandra Sypko, Prashant Kumar, Michał Leszek Chodkiewicz

J Chem Inf Model· August 2022

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TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data.
Kunal Kumar Jha, Barbara Gruza, Prashant Kumar, Michal Leszek Chodkiewicz, Paulina Maria Dominiak

Acta Crystallogr B Struct Sci Cryst Eng Mater· June 2020

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Refinement of organic crystal structures with multipolar electron scattering factors.
Barbara Gruza, Michał Leszek Chodkiewicz, Joanna Krzeszczakowska, Paulina Maria Dominiak

Acta Crystallogr A Found Adv· January 2020

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Extension of the transferable aspherical pseudoatom data bank for the comparison of molecular electrostatic potentials in structure-activity studies.
Prashant Kumar, Barbara Gruza, Sławomir Antoni Bojarowski, Paulina Maria Dominiak

Acta Crystallogr A Found Adv· March 2019

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