Hydrogen atoms can be located accurately and precisely by x-ray crystallography M Woińska, S Grabowsky, PM Dominiak, K Woźniak, D Jayatilaka Science Advances 2 (5), e1600192, 2016 | 254 | 2016 |
Hirshfeld atom refinement for modelling strong hydrogen bonds M Woińska, D Jayatilaka, MA Spackman, AJ Edwards, PM Dominiak, ... Acta Crystallographica Section A: Foundations and Advances 70 (5), 483-498, 2014 | 70 | 2014 |
Validation of X‐ray Wavefunction Refinement M Woińska, D Jayatilaka, B Dittrich, R Flaig, P Luger, K Woźniak, ... ChemPhysChem 18 (23), 3334-3351, 2017 | 56 | 2017 |
Magnetic interactions in an ensemble of cubic nanoparticles: A Monte Carlo study M Woińska, J Szczytko, A Majhofer, J Gosk, K Dziatkowski, A Twardowski Physical Review B 88 (14), 144421, 2013 | 50 | 2013 |
Contrasting elastic properties of heavily B-and N-doped graphene with random impurity distributions including aggregates KZ Milowska, M Woinska, M Wierzbowska The Journal of Physical Chemistry C 117 (39), 20229-20235, 2013 | 32 | 2013 |
On the accuracy and precision of X-ray and neutron diffraction results as a function of resolution and the electron density model. WF Sanjuan-Szklarz, M Woińska, S Domagała, PM Dominiak, ... IUCrJ 7 (5), 2020 | 30 | 2020 |
Hirshfeld atom like refinement with alternative electron density partitions. ML Chodkiewicz, M Woińska, K Woźniak IUCrJ 7, 1199-1215, 2020 | 27 | 2020 |
Hydrogen atoms in bridging positions from quantum crystallographic refinements: Influence of hydrogen atom displacement parameters on geometry and electron density LA Malaspina, AA Hoser, AJ Edwards, M Woińska, MJ Turner, JR Price, ... CrystEngComm 22 (28), 4778-4789, 2020 | 27 | 2020 |
Predicting the position of the hydrogen atom in the short intramolecular hydrogen bond of the hydrogen maleate anion from geometric correlations LA Malaspina, AJ Edwards, M Woińska, D Jayatilaka, MJ Turner, JR Price, ... Crystal growth & design 17 (7), 3812-3825, 2017 | 19 | 2017 |
Towards accurate and precise positions of hydrogen atoms bonded to heavy metal atoms M Woinska, ML Chodkiewicz, K Wozniak CHEMICAL COMMUNICATIONS, 2021 | 18 | 2021 |
Electronic structure of graphene functionalized with boron and nitrogen M Woińska1, KZ Milowska, JA Majewski physica status solidi c 10 (7‐8), 1167-1171, 2013 | 14 | 2013 |
Relativistic Hirshfeld atom refinement of an organo-gold (I) compound S Pawlędzio, M Malinska, M Woińska, J Wojciechowski, ... IUCrJ 8 (4), 608-620, 2021 | 12 | 2021 |
Energetics of interactions in the solid state of 2-hydroxy-8-X-quinoline derivatives (X= Cl, Br, I, S-Ph): comparison of Hirshfeld atom, X-ray wavefunction and multipole … M Woinska, M Wanat, P Taciak, T Pawinski, W Minor, K Wozniak IUCrJ 6 (5), 868-883, 2019 | 12 | 2019 |
Fragmentation and transferability in Hirshfeld atom refinement M Chodkiewicz, S Pawlędzio, M Woińska, K Woźniak IUCrJ 9, 298-315, 2022 | 10 | 2022 |
Hirshfeld Atom Refinement of Metal–Organic Complexes: Treatment of Hydrogen Atoms Bonded to Transition Metals M Woińska, S Pawlędzio, ML Chodkiewicz, K Wozniak The Journal of Physical Chemistry A 127 (13), 3020-3035, 2023 | 8 | 2023 |
State-of-the-Art data management: improving the reproducibility, consistency, and traceability of structural biology and in vitro biochemical experiments DR Cooper, M Grabowski, MD Zimmerman, PJ Porebski, IG Shabalin, ... Structural Genomics: General Applications, 209-236, 2021 | 8 | 2021 |
virusMED: an atlas of hotspots of viral proteins H Zhang, P Chen, H Ma, M Woińska, D Liu, DR Cooper, G Peng, Y Peng, ... IUCrJ 8 (6), 931-942, 2021 | 7 | 2021 |
Transferability of Atomic Multipoles in Amino Acids and Peptides for Various Density Partitions M Woińska, PM Dominiak The Journal of Physical Chemistry A 117 (7), 1535-1547, 2013 | 6 | 2013 |
Monte Carlo simulations of ferromagnetic nanocomposites M Woińska, A Majhofer, J Gosk, J Szczytko Acta Physica Polonica A 122 (6), 1019-1021, 2012 | 5 | 2012 |
Ab initio modeling of graphene functionalized with boron and nitrogen M Woińska, K Milowska, J Majewski Acta Physica Polonica A 122 (6), 1087-1089, 2012 | 5 | 2012 |