Barbara Gruza

tel: 22 55 26 559
e-mail: bgruza@chem.uw.edu.pl
address: ul. Żwirki i Wigury 101
room: 1.45
Researchgate
ORCID iD iconhttps://orcid.org/0000-0002-8524-5300
ResearchID


Publications

Jha KK, Gruza B, Chodkiewicz ML, Jelsch Ch, Dominiak PM
Refinements on electron diffraction data of β-glycine in MoPro: A quest for improved structure model
Journal of Applied Crystallography Accepted
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

  1. Gruza B, Chodkiewicz ML, Dominiak PM, Refinement with multipolar scattering factors, QCrOM2020, 26-29.08.2020, online
  2. 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
  3. Gruza B, Chodkiewicz ML, Krzeszczakowska J, Dominiak PM, TAAM refinements with electron diffraction data, 5th MicroED Workshop, 9-12.12.2019, Los Angeles, USA
  4. Gruza B, Chodkiewicz ML, Krzeszczakowska J, Dominiak PM, TAAM refinements with electron diffraction data, ICDM1, 21– 26.07.2019, Göttingen, Germany
  5. 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
  6. 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.
  7. Gruza B, Kumar P, Dominiak PM, Pseudoatoms databank (UBDB) extension for parameterizing drug-like molecules, ECDM7, 26.06 – 1.07.2016, Warsaw, Poland.