|
tel: 22 55 26 559 |
https://orcid.org/0000-0002-8524-5300Publications
|
Jha KK, Gruza B, Kumar P, Chodkiewicz ML, Dominiak PM TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B B76, 296-306, Published: 2020 [DOI: /10.1107/S2052520620002917] |
|
|
Gruza B, Chodkiewicz ML, Krzeszczakowska J, Dominiak PM Refinement of organic crystal structures with multipolar electron scattering factors Acta Crystallographica Section A 76, 92-109, Published: 2020 [DOI: 10.1107/S2053273319015304] |
|
|
Kumar P, Gruza B, Bojarowski SA, Dominiak PM Extension of the transferable aspherical pseudoatom data bank for the comparison of molecular electrostatic potentials in structure–activity studies Acta Crystallographica Section A 75, 398-408, Published: 2019 [DOI: 10.1107/S2053273319000482] |
Conferences
- Gruza B, Chodkiewicz ML, Dominiak PM, Refinement with multipolar scattering factors, QCrOM2020, 26-29.08.2020, online
- Gruza B, Chodkiewicz ML, Dominiak PM, TAAM refinement against electron diffraction data for ionic structures, Joint Polish-German Crystallographic Meeting, 24-27.02.2020, Wrocław, Polska
- Gruza B, Chodkiewicz ML, Krzeszczakowska J, Dominiak PM, TAAM refinements with electron diffraction data, 5th MicroED Workshop, 9-12.12.2019, Los Angeles, USA
- Gruza B, Chodkiewicz ML, Krzeszczakowska J, Dominiak PM, TAAM refinements with electron diffraction data, ICDM1, 21– 26.07.2019, Göttingen, Germany
- Gruza B, Chodkiewicz ML, Krzeszczakowska J, Dominiak PM, TAAM refinements with electron diffraction data, Tools for Chemical Bonding Workshop , 14-19.07.2019, Bremen, Germany
- Gruza B, Dominiak PM, Trzybiński D, Intermolecular interactions in the cyanuric acid dihydrate on the basis of experimental charge density, ECM31, 22-28.08.2018, Oviedo, Spain.
- Gruza B, Kumar P, Dominiak PM, Pseudoatoms databank (UBDB) extension for parameterizing drug-like molecules, ECDM7, 26.06 – 1.07.2016, Warsaw, Poland.