Artur Wodyński

发表

Interpretation of the longitudinal (13)C nuclear spin relaxation and chemical shift data for five bromoazaheterocycles supported by nonrelativistic and relativistic DFT calculations.

A. Gryff-Keller, Artur Wodyński, A. Kraska-Dziadecka, 2015, The journal of physical chemistry. A.

TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulations

Thomas Müller, Marek Sierka, Arnim Hellweg, 2020, The Journal of chemical physics.

Density Functional Calculations of EPR g- and Hyperfine-Coupling Tensors Using the Exact Two-Component (X2C) Transformation and Efficient Approximations to the Two-Electron Spin-Orbit Terms.

M. Kaupp, Artur Wodyński, 2019, The journal of physical chemistry. A.

Structural studies on radiopharmaceutical DOTA-minigastrin analogue (CP04) complexes and their interaction with CCK2 receptor

R. Mikołajczak, P. Garnuszek, M. Maurin, 2018, EJNMMI Research.

DFT calculations of 31P spin–spin coupling constants and chemical shift in dioxaphosphorinanes

M. Pecul, M. Urbańczyk, M. Jaszuński, 2011, Magnetic resonance in chemistry : MRC.

Matrix Isolation Spectroscopic and Relativistic Quantum Chemical Study of Molecular Platinum Fluorides PtF n (n=1–6) Reveals Magnetic Bistability of PtF4

S. Riedel, M. Kaupp, H. Beckers, 2021, Chemistry.

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, M. Ociepa, A. Gryff-Keller, 2014, The journal of physical chemistry. A.

Scalar relaxation of the second kind. A potential source of information on the dynamics of molecular movements. 3. A (13)C nuclear spin relaxation study of CBrX3 (X = Cl, CH3, Br) molecules.

A. Gryff-Keller, Artur Wodyński, A. Kraska-Dziadecka, 2014, The journal of physical chemistry. A.

Local Hybrid Functional Applicable to Weakly and Strongly Correlated Systems.

M. Kaupp, Artur Wodyński, 2022, Journal of chemical theory and computation.

Non-collinear relativistic two-component X2C calculations of hyperfine couplings using local hybrid functionals. Importance of the high-density coordinate scaling limit.

M. Kaupp, Artur Wodyński, 2019, Journal of chemical theory and computation.

Noncollinear Two-Component Quasirelativistic Description of Spin Interactions in Exchange-Coupled Systems. Mapping Generalized Broken-Symmetry States to Effective Spin Hamiltonians.

M. Kaupp, Artur Wodyński, 2018, Journal of chemical theory and computation.

The Influence of a Presence of a Heavy Atom on (13)C Shielding Constants in Organomercury Compounds and Halogen Derivatives.

M. Pecul, A. Gryff-Keller, Artur Wodyński, 2013, Journal of chemical theory and computation.

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, S. Molchanov, Artur Wodyński, 2012, The journal of physical chemistry. A.

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

M. Pecul, M. Repiský, Artur Wodyński, 2012, The Journal of chemical physics.

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, Artur Wodyński, 2014, The journal of physical chemistry. A.

Local hybrid functionals augmented by a strong-correlation model.

M. Kaupp, A. Arbuznikov, Artur Wodyński, 2021, The Journal of chemical physics.

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

M. Pecul, Artur Wodyński, J. Narbutt, 2015, Dalton transactions.

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.

M. Pecul, Artur Wodyński, 2014, The Journal of chemical physics.

Strong-correlation density functionals made simple.

M. Kaupp, A. Arbuznikov, Artur Wodyński, 2023, The Journal of chemical physics.

TURBOMOLE: Today and Tomorrow

Vamsee K. Voora, M. Sierka, Dmitrij Rappoport, 2023, Journal of chemical theory and computation.

Revisiting Gauge-Independent Kinetic Energy Densities in Meta-GGAs and Local Hybrid Calculations of Magnetizabilities

S. Lehtola, M. Kaupp, D. Sundholm, 2023, The journal of physical chemistry. A.

Excited states and spin-orbit coupling in chalcogen substituted perylene diimides and their radical anions.

M. Kaupp, C. Lambert, H. Braunschweig, 2022, Physical chemistry chemical physics : PCCP.

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

M. Pecul, Artur Wodyński, J. Narbutt, 2015, Dalton transactions.