Stanislav Komorovsky

All papers authored by Stanislav Komorovsky

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2022 Ben Joseph R. Cuyacot

, Jan Novotný

, Raphael J. F. Berger

, Stanislav Komorovsky

, Radek Marek

Relativistic Spin–Orbit Electronegativity and the Chemical Bond Between a Heavy Atom and a Light Atom

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2019 Abril C. Castro

, Heike Fliegl

, Michele Cascella

, Trygve Helgaker, Michal Repisky, Stanislav Komorovsky

, María Ángeles Medrano, Adoración G. Quiroga

, Marcel Swart

Four-component relativistic 31P NMR calculations for trans-platinum(ii) complexes: importance of the solvent and dynamics in spectral simulations

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2018 Marián Gall, Lukáš Bučinský

, Stanislav Komorovsky

General build up of K+ basis and K+2 matrix in the diagonalization approach. Determination of Kramers configuration state functions

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Pi A. B. Haase

, Michal Repisky

, Stanislav Komorovsky

, Jesper Bendix

, Stephan P. A. Sauer

Frontispiece: Relativistic DFT Calculations of Hyperfine Coupling Constants in 5d Hexafluorido Complexes: [ReF6 ]2− and [IrF6 ]2−

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2017 Pi A. B. Haase

, Michal Repisky

, Stanislav Komorovsky

, Jesper Bendix

, Stephan P. A. Sauer

Relativistic DFT Calculations of Hyperfine Coupling Constants in 5d Hexafluorido Complexes: [ReF6 ]2− and [IrF6 ]2−

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2016 Michał Jaszuński, Andrej Antušek, Taye Beyene Demissie

, Stanislav Komorovsky

, Michal Repisky, Kenneth Ruud

Indirect NMR spin-spin coupling constants in diatomic alkali halides

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Stanislav Komorovsky

, Michal Repisky, Lukáš Bučinský

New quantum number for the many-electron Dirac-Coulomb Hamiltonian

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Jan Novotný

, Martin Sojka, Stanislav Komorovsky

, Marek Nečas, Radek Marek

Interpreting the paramagnetic NMR spectra of potential Ru(III) metallodrugs: synergy between experiment and relativistic DFT calculations

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Peter J. Cherry, Stanislav Komorovsky

, Vladimir G. Malkin, Olga L. Malkina

Calculations of the EPR g-tensor using unrestricted two- and four-component relativistic approaches within the HF and DFT frameworks

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Roberto Di Remigio, Roberto Di Remigio

, Michal Repisky, Stanislav Komorovsky

, Peter Hrobarik, Luca Frediani, Kenneth Ruud

Four-component relativistic density functional theory with the polarisable continuum model application to EPR parameters and paramagnetic NMR shifts

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2015 Taye B. Demissie, Michał Jaszuński, Stanislav Komorovsky

, Michal Repisky, Kenneth Ruud

Absolute NMR shielding scales and nuclear spin–rotation constants in 175LuX and 197AuX (X = 19F, 35Cl, 79Br and 127I)

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Stanislav Komorovsky

, Michal Repisky, Elena Malkin, Taye B. Demissie, Kenneth Ruud

Four-Component Relativistic Density-Functional Theory Calculations of Nuclear Spin–Rotation Constants: Relativistic Effects inp-Block Hydrides

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Anevzka Kvr'istková, Anežka Křístková, Stanislav Komorovsky

, Michal Repisky, Vladimir G. Malkin, Olga L. Malkina

Relativistic four-component calculations of indirect nuclear spin-spin couplings with efficient evaluation of the exchange-correlation response kernel

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Stanislav Komorovsky

, Michal Repisky, Elena Malkin, Kenneth Ruud

, Jürgen Gauss

Communication: The absolute shielding scales of oxygen and sulfur revisited

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Michal Repisky, Lukas Konecny, Marius Kadek, Stanislav Komorovsky

, Olga L. Malkin, Vladimir G. Malkin, Kenneth Ruud

Excitation Energies from Real-Time Propagation of the Four-Component Dirac–Kohn–Sham Equation

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Taye B. Demissie, Michał Jaszuński

, Elena Malkin, Stanislav Komorovsky

, Kenneth Ruud

NMR shielding and spin–rotation constants in XCO (X = Ni, Pd, Pt) molecules†

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Jan Vícha, Jan Novotny

, Michal Straka, Michal Repisky, Kenneth Ruud

, Stanislav Komorovsky

, Radek Marek

Structure, solvent, and relativistic effects on the NMR chemical shifts in square-planar transition-metal complexes: assessment of DFT approaches

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Raphael J. F. Berger, Stanislav Komorovsky

, Michal Repisky

How does relativity affect magnetically induced currents?

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2013 Stanislav Komorovsky

, Michal Repisky, Kenneth Ruud

, Olga L. Malkina, Vladimir G. Malkin

Four-Component Relativistic Density Functional Theory Calculations of NMR Shielding Tensors for Paramagnetic Systems

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Michał Jaszuński, Michal Repisky, Taye B. Demissie, Stanislav Komorovsky

, Elena Malkin, Kenneth Ruud

, Piotr Garbacz, Karol Jackowski, Włodzimierz Makulski

Spin-rotation and NMR shielding constants in HCl

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All papers authored by Stanislav Komorovsky