| Emerging polymorphism in nanostructured TiO2: Quantum chemical comparison of anatase, rutile, and brookite clusters M Gałyńska, P Persson International Journal of Quantum Chemistry 113 (24), 2611-2620, 2013 | 32 | 2013 |
| Light-harvesting and electronic contacting capabilities of Ru (II) Ipa rod and star complexes–first principles predictions P Persson, M Knitter, E Galoppini Rsc Advances 2 (20), 7868-7874, 2012 | 13 | 2012 |
| Material dependence of water interactions with metal oxide nanoparticles: TiO2, SiO2, GeO2, and SnO2 M Gałyńska, P Persson Advances in Quantum Chemistry 69, 303-332, 2014 | 10 | 2014 |
| Geminal-based strategies for modeling large building blocks of organic electronic materials P Tecmer, M Gałyńska, L Szczuczko, K Boguslawski The Journal of Physical Chemistry Letters 14 (44), 9909-9917, 2023 | 8 | 2023 |
| Experimental and Theoretical Investigation of Simple Terminal Group 6 Arsenide As≡MF3 Molecules X Wang, L Andrews, M Knitter, PÅ Malmqvist, BO Roos The Journal of Physical Chemistry A 113 (21), 6064-6069, 2009 | 8 | 2009 |
| Transferable Potential Function for Flexible H2O Molecules Based on the Single-Center Multipole Expansion EO Jónsson, S Rasti, M Galynska, J Meyer, H Jónsson Journal of Chemical Theory and Computation 18 (12), 7528-7543, 2022 | 7 | 2022 |
| Quantum chemical calculations of the structural influence on electronic properties in TiO2 nanocrystals M Gałyńska, P Persson Molecular Physics 115 (17-18), 2209-2217, 2017 | 6 | 2017 |
| Localized and delocalized states of a diamine cation: resolution of a controversy M Gałyńska, V Asgeirsson, H Jonsson, R Bjornsson The Journal of Physical Chemistry Letters 12 (4), 1250-1255, 2021 | 5 | 2021 |
| Benchmarking ionization potentials using the simple pCCD model S Mamache, M Gałyńska, K Boguslawski Physical Chemistry Chemical Physics 25 (27), 18023-18029, 2023 | 4 | 2023 |
| Benchmarking ionization potentials from pCCD tailored coupled cluster models M Gałyńska, K Boguslawski Journal of Chemical Theory and Computation, 2024 | 3 | 2024 |
| Accelerating Pythonic Coupled-Cluster Implementations: A Comparison Between CPUs and GPUs MH Kriebel, P Tecmer, M Gałyńska, A Leszczyk, K Boguslawski Journal of Chemical Theory and Computation 20 (3), 1130-1142, 2024 | 3 | 2024 |
| Delving into the catalytic mechanism of molybdenum cofactors: a novel coupled cluster study M Gałyńska, MMF de Moraes, P Tecmer, K Boguslawski Physical Chemistry Chemical Physics 26 (27), 18918-18929, 2024 | 1 | 2024 |
| Quantum chemical characterization of oxide nanoparticles and interactions on their surfaces M Galynska Lund University, 2014 | 1 | 2014 |
| Changing the paradigm in f-containing cold molecules: the impact of spin-orbit coupling and fd transitions on quasi-bound vibrational states M Gałyńska, MMF de Moraes, P Tecmer, K Boguslawski arXiv preprint arXiv:2407.17224, 2024 | | 2024 |
| Exploring electron affinities, LUMO energies, and band gaps with electron-pair theories M Gałyńska, P Tecmer, K Bogusławski arXiv preprint arXiv:2406.14716, 2024 | | 2024 |
| Does the localized state exists? Multiconfigurational study of the charge transfer process in a simple diamine cation. M Gałyńska, H Jónnson, R Björnsson Warsaw, Poland, 66, 2023 | | 2023 |
| Localized and delocalized states of a diamine cation: A critical test of wave function methods M Gałyńska, V Ásgeirsson, H Jónsson, R Björnsson arXiv preprint arXiv:2007.06125, 2020 | | 2020 |
| Transferable Potential Function for Flexible HO Molecules Based on the Single Center Multipole Expansion E Örn Jónsson, S Rasti, M Galynska, J Meyer, H Jónsson arXiv e-prints, arXiv: 2007.06090, 2020 | | 2020 |
