All Stories

  1. On the structure refinement of metal complexes against 3D electron diffraction data using multipolar scattering factors

    Article • IUCrJ, August 2024, International Union of Crystallography

    Paulina Dominiak

  2. TAAM Refinement for 3D ED/MicroED Data Improves Model Fitting for Organic Molecules

    Article • Acta Crystallographica Section C Structural Chemistry, June 2024, International Union of Crystallography

    ANIL KUMAR, Paulina Dominiak, IUCr Journals

  3. Aspherical atom refinements on X-ray data of diverse structures including disordered and covalent organic framework systems: a time–accuracy trade-off

    Article • Journal of Applied Crystallography, February 2023, International Union of Crystallography

    Paulina Dominiak

  4. New refinement strategies for a pseudoatom databank – toward rapid electrostatic interaction energy estimations

    Article • Acta Crystallographica Section B Structural Science Crystal Engineering and Materials, November 2022, International Union of Crystallography

    Paulina Dominiak

  5. Theoretical 3D electron diffraction electrostatic potential maps of proteins modeled with a multipolar pseudoatom data bank

    Article • Acta Crystallographica Section D Structural Biology, July 2022, International Union of Crystallography

    Paulina Dominiak

  6. Refinement of organic crystal structures with multipolar electron scattering factors

    Article • Acta Crystallographica Section A Foundations and Advances, January 2020, International Union of Crystallography

    Paulina Dominiak

  7. Differences and similarities among hypoxanthinium nitrate hydrate structures

    Article • Acta Crystallographica Section C Structural Chemistry, July 2019, International Union of Crystallography

    Paulina Dominiak

  8. Extension of the transferable aspherical pseudoatom data bank for the comparison of molecular electrostatic potentials in structure–activity studies

    Article • Acta Crystallographica Section A Foundations and Advances, February 2019, International Union of Crystallography

    Paulina Dominiak

  9. Protonated nucleobases are not fully ionized in their chloride salt crystals and form metastable base pairs further stabilized by the surrounding anions

    Article • IUCrJ, June 2018, International Union of Crystallography

    Paulina Dominiak

  10. Molecular tapes in the structure of isoguaninium chloride

    Article • Acta Crystallographica Section C Structural Chemistry, December 2017, International Union of Crystallography

    Paulina Dominiak

  11. Interplay of point multipole moments and charge penetration for intermolecular electrostatic interaction energies from the University at Buffalo pseudoatom databank model of electron density

    Article • Acta Crystallographica Section B Structural Science Crystal Engineering and Materials, July 2017, International Union of Crystallography

    Paulina Dominiak