Artur Wodyński

TURBOMOLE: Modular program suite for <i>ab initio</i> quantum-chemical and condensed-matter simulations

Sree Ganesh Balasubramani, Guo P. Chen, Sonia Coriani et al. · The Journal of Chemical Physics · 2020 · 1.1K citations · Full text

The selectivity of diglycolamide (TODGA) and bis-triazine-bipyridine (BTBP) ligands in actinide/lanthanide complexation and solvent extraction separation – a theoretical approach

J. Narbutt, Artur Wodyński, Magdalena Pecul · Dalton Transactions · 2014 · 97 citations

Solvent Extraction, Engineering, Organic Chemistry +16

A comparison of two-component and four-component approaches for calculations of spin-spin coupling constants and NMR shielding constants of transition metal cyanides

Artur Wodyński, Michal Repiský, Magdalena Pecul · The Journal of Chemical Physics · 2012 · 38 citations

Magnetic Properties, Engineering, Theoretical Inorganic Chemistry +25

Local Hybrid Functional Applicable to Weakly and Strongly Correlated Systems

Artur Wodyński, Martin Kaupp · Journal of Chemical Theory and Computation · 2022 · 36 citations

Density Functional Calculations of Electron Paramagnetic Resonance <b>g</b>- and Hyperfine-Coupling Tensors Using the Exact Two-Component (X2C) Transformation and Efficient Approximations to the Two-Electron Spin–Orbit Terms

Artur Wodyński, Martin Kaupp · The Journal of Physical Chemistry A · 2019 · 30 citations