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
31 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 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 H2 O 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
4 2021 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
3 2023 Benchmarking ionization potentials using the simple pCCD model S Mamache, M Gałyńska, K Boguslawski
Physical Chemistry Chemical Physics 25 (27), 18023-18029, 2023
3 2023 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, 2024
1 2024 Quantum chemical characterization of oxide nanoparticles and interactions on their surfaces M Galynska
Lund University, 2014
1 2014 Benchmarking ionization potentials from pCCD tailored coupled cluster models M Gałyńska, K Boguslawski
arXiv preprint arXiv:2402.06496, 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 H E Örn Jónsson, S Rasti, M Galynska, J Meyer, H Jónsson
arXiv e-prints, arXiv: 2007.06090, 2020
2020 