Extension of the transferable aspherical pseudoatom data bank for the comparison of molecular electrostatic potentials in structure–activity studies P Kumar, B Gruza, SA Bojarowski, PM Dominiak Acta Crystallographica Section A: Foundations and Advances 75 (2), 398-408, 2019 | 39 | 2019 |
Refinement of organic crystal structures with multipolar electron scattering factors B Gruza, ML Chodkiewicz, J Krzeszczakowska, PM Dominiak Acta Crystallographica Section A: Foundations and Advances 76 (1), 92-109, 2020 | 32 | 2020 |
TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data KK Jha, B Gruza, P Kumar, ML Chodkiewicz, PM Dominiak Acta Crystallographica Section B: Structural Science, Crystal Engineering …, 2020 | 30 | 2020 |
Multipolar Atom Types from Theory and Statistical Clustering (MATTS) data bank: restructurization and extension of UBDB KK Jha, B Gruza, A Sypko, P Kumar, ML Chodkiewicz, PM Dominiak Journal of Chemical Information and Modeling 62 (16), 3752-3765, 2022 | 13 | 2022 |
Refinements on electron diffraction data of β-glycine in MoPro: a quest for an improved structure model KK Jha, B Gruza, ML Chodkiewicz, C Jelsch, PM Dominiak Journal of Applied Crystallography 54 (4), 1234-1243, 2021 | 8 | 2021 |
TAAM refinement in dynamical approach against electron diffraction data B Gruza, P Brázda, L Palatinus, P Dominiak Acta Crystallographica Section A: Foundations and Advances 78, a621-a621, 2022 | 1 | 2022 |
New refinement strategies for pseudoatom databank-towards wider range of application SA Bojarowski, B Gruza, D Trzybiński, R Kamiński, AA Hoser, P Kumar, ... | 1 | 2022 |
New refinement strategies for a pseudoatom databank–toward rapid electrostatic interaction energy estimations SA Bojarowski, B Gruza, D Trzybiński, R Kamiński, AA Hoser, P Kumar, ... Acta Crystallographica Section B: Structural Science, Crystal Engineering …, 2022 | | 2022 |
Moving quantum crystallography from sub-atomic XRD to near-atomic 3D ED PM Dominiak, ML Chodkiewicz, B Gruza, KK Jha, M Kulik, P Rybicka, ... Acta Crystallographica Section A: Foundations and Advances 77, C386-C386, 2021 | | 2021 |
Model dependence (IAM vs. TAAM) of B-factors cases of X-ray and electron diffraction B Gruza, C Jelsch, PM Dominiak ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES 77, C1277-C1277, 2021 | | 2021 |
Refinement with multipolar scattering factors B Gruza, M Chodkiewicz, PM Dominiak Acta Crystallographica Section A: Foundations and Advances 77, C159-C159, 2021 | | 2021 |
Refinement of organic crystal structure with multipolar electron scattering factors B Gruza, ML Chodkiewicz, JM Krzeszczakowska, P Dominiak | | 2019 |
TAAM: A RELIABLE AND USER FRIENDLY TOOL FOR HYDROGEN ATOM LOCATION USING X-RAY DIFFRACTION DATA M Chodkiewicz, K Jha, B Gruza, P Dominiak ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES 75, E453-E453, 2019 | | 2019 |
Intermolecular interactions in the cyanuric acid dihydrate on the basis of experimental charge density B Gruza, P Dominiak, D Trzybinsk ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES 74, E299-E299, 2018 | | 2018 |
MS25-P08| REFINEMENT OF ORGANIC CRYSTAL STRUCTURE WITH MULTIPOLAR ELECTRON SCATTERING FACTORS B Gruza, M Chodkiewicz Foundations of Crystallography 57, 16313, 2018 | | 2018 |
MS21-P03 B Gruza, P Dominiak, D TrzybińsN Foundations of Crystallography 74, e300, 2018 | | 2018 |
Refinement of electron diffraction data in MoPro: A quest for improved structure model KK Jha, C Jelsch, PM Dominiak Book of Abstracts 220 (7), 13, 2006 | | 2006 |
Multipolar scattering factors for electron diffraction B Gruza, M Chodkiewicz, PM Dominiak Book of Abstracts 220 (7), 41, 2006 | | 2006 |
MS24-2-1 TAAM refinement in dynamical approach against electron diffraction data# MS24-2-1 B Gruza, P Brázda, L Palatinus, P Dominiak Foundations of Crystallography, 0 | | |
Structures of Vitamin D derivatives by electron diffraction KK Jha, M Chodkiewicz, M Wanat, B Gruza, A Kutner, T Góral, P Dominiak, ... | | |