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

  1. 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, 1-11, Published: 2020 [DOI: /10.1107/S2052520620002917]
  2. 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]
  3. 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.