| TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulations SG Balasubramani, GP Chen, S Coriani, M Diedenhofen, MS Frank, ... The Journal of chemical physics 152 (18), 2020 | 763 | 2020 |
| The selectivity of diglycolamide (TODGA) and bis-triazine-bipyridine (BTBP) ligands in actinide/lanthanide complexation and solvent extraction separation–a theoretical approach J Narbutt, A Wodyński, M Pecul Dalton Transactions 44 (6), 2657-2666, 2015 | 104 | 2015 |
| TURBOMOLE: Today and tomorrow YJ Franzke, C Holzer, JH Andersen, T Begušić, F Bruder, S Coriani, ... Journal of chemical theory and computation 19 (20), 6859-6890, 2023 | 46 | 2023 |
| A comparison of two-component and four-component approaches for calculations of spin-spin coupling constants and NMR shielding constants of transition metal cyanides A Wodyński, M Repiský, M Pecul The Journal of Chemical Physics 137 (1), 2012 | 43 | 2012 |
| The Influence of a Presence of a Heavy Atom on 13C Shielding Constants in Organomercury Compounds and Halogen Derivatives A Wodynski, A Gryff-Keller, M Pecul Journal of Chemical Theory and Computation 9 (4), 1909-1917, 2013 | 27 | 2013 |
| DFT calculations of 31P spin–spin coupling constants and chemical shift in dioxaphosphorinanes M Pecul, M Urbańczyk, A Wodyński, M Jaszuński Magnetic Resonance in Chemistry 49 (7), 399-404, 2011 | 25 | 2011 |
| Noncollinear Relativistic Two-Component X2C Calculations of Hyperfine Couplings Using Local Hybrid Functionals. Importance of the High-Density Coordinate Scaling Limit A Wodyński, M Kaupp Journal of Chemical Theory and Computation 16 (1), 314-325, 2019 | 23 | 2019 |
| Density Functional Calculations of Electron Paramagnetic Resonance g- and Hyperfine-Coupling Tensors Using the Exact Two-Component (X2C) Transformation … A Wodynski, M Kaupp The Journal of Physical Chemistry A 123 (26), 5660-5672, 2019 | 23* | 2019 |
| Shielding and Indirect Spin–Spin Coupling Tensors in the Presence of a Heavy Atom: An Experimental and Theoretical Study of Bis (phenylethynyl) mercury A Gryff-Keller, A Kraska-Dziadecka, S Molchanov, A Wodyński The Journal of Physical Chemistry A 116 (43), 10615-10620, 2012 | 16 | 2012 |
| Local hybrid functionals augmented by a strong-correlation model A Wodyński, AV Arbuznikov, M Kaupp The Journal of Chemical Physics 155 (14), 2021 | 15 | 2021 |
| Scalar relaxation of the second kind. A potential source of information on the dynamics of molecular movements. 4. Molecules with collinear C–H and C–Br bonds P Bernatowicz, D Kubica, M Ociepa, A Wodynski, A Gryff-Keller The Journal of Physical Chemistry A 118 (23), 4063-4070, 2014 | 14 | 2014 |
| Structural studies on radiopharmaceutical DOTA-minigastrin analogue (CP04) complexes and their interaction with CCK2 receptor PFJ Lipiński, P Garnuszek, M Maurin, R Stoll, N Metzler-Nolte, ... EJNMMI research 8, 1-10, 2018 | 13 | 2018 |
| Local hybrid functional applicable to weakly and strongly correlated systems A Wodynski, M Kaupp Journal of Chemical Theory and Computation 18 (10), 6111-6123, 2022 | 12 | 2022 |
| Scalar Relaxation of the Second Kind A Potential Source of Information on the Dynamics of Molecular Movements. 2. Magnetic Dipole Moments and Magnetic Shielding of Bromine Nuclei A Gryff-Keller, S Molchanov, A Wodynski The Journal of Physical Chemistry A 118 (1), 128-133, 2014 | 11 | 2014 |
| The influence of a presence of a heavy atom on the spin-spin coupling constants between two light nuclei in organometallic compounds and halogen derivatives A Wodyński, M Pecul The Journal of Chemical Physics 140 (2), 2014 | 10 | 2014 |
| Scalar Relaxation of the Second Kind. A Potential Source of Information on the Dynamics of Molecular Movements. 3. A 13C Nuclear Spin Relaxation Study of CBrX3 (X = Cl … D Kubica, A Wodynski, A Kraska-Dziadecka, A Gryff-Keller The Journal of Physical Chemistry A 118 (16), 2995-3003, 2014 | 9 | 2014 |
| The Relativistic Effects on the Carbon–Carbon Coupling Constants Mediated by a Heavy Atom A Wodyński, OL Malkina, M Pecul The Journal of Physical Chemistry A 120 (28), 5624-5634, 2016 | 8 | 2016 |
| Strong-correlation density functionals made simple A Wodyński, AV Arbuznikov, M Kaupp The Journal of Chemical Physics 158 (24), 2023 | 5 | 2023 |
| Excited states and spin–orbit coupling in chalcogen substituted perylene diimides and their radical anions P Mentzel, M Holzapfel, A Schmiedel, I Krummenacher, H Braunschweig, ... Physical Chemistry Chemical Physics 24 (42), 26254-26268, 2022 | 5 | 2022 |
| Matrix Isolation Spectroscopic and Relativistic Quantum Chemical Study of Molecular Platinum Fluorides PtFn (n=1–6) Reveals Magnetic Bistability of PtF4 G Senges, L Li, A Wodyński, H Beckers, R Müller, M Kaupp, S Riedel Chemistry–A European Journal 27 (54), 13642-13650, 2021 | 5 | 2021 |
