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Inorganic Chemistry|December 27, 2021
Accurate X-ray Absorption Spectra near L- and M-Edges from Relativistic Four-Component Damped Response Time-Dependent Density Functional TheoryLukas Konecny, Jan Vicha, Stanislav Komorovsky, et al.The Journal of Physical Chemistry. A|February 1, 2023
Exact Two-Component TDDFT with Simple Two-Electron Picture-Change Corrections: X-ray Absorption Spectra Near L- and M-Edges of Four-Component Quality at Two-Component CostLukas Konecny, Stanislav Komorovsky, Jan Vicha, et al.The Journal of Chemical Physics|November 24, 2019
Relativistic four-component linear damped response TDDFT for electronic absorption and circular dichroism calculationsLukas Konecny, Michal Repisky, Kenneth Ruud, et al.The Journal of Chemical Physics|December 4, 2018
Resolution-of-identity accelerated relativistic two- and four-component electron dynamics approach to chiroptical spectroscopiesLukas Konecny, Marius Kadek, Stanislav Komorovsky, et al.Journal of Chemical Theory and Computation|October 30, 2016
Acceleration of Relativistic Electron Dynamics by Means of X2C Transformation: Application to the Calculation of Nonlinear Optical PropertiesLukas Konecny, Marius Kadek, Stanislav Komorovsky, et al.Journal of Chemical Theory and Computation|November 19, 2015
Excitation Energies from Real-Time Propagation of the Four-Component Dirac-Kohn-Sham EquationMichal Repisky, Lukas Konecny, Marius Kadek, et al.The Journal of Chemical Physics|March 10, 2015
Communication: The absolute shielding scales of oxygen and sulfur revisitedStanislav Komorovsky, Michal Repisky, Elena Malkin, et al.The Journal of Chemical Physics|November 2, 2015
Absolute NMR shielding scales and nuclear spin-rotation constants in (175)LuX and (197)AuX (X = (19)F, (35)Cl, (79)Br and (127)I)Taye B Demissie, Michał Jaszuński, Stanislav Komorovsky, et al.Journal of Chemical Theory and Computation|November 18, 2015
Four-Component Relativistic Density-Functional Theory Calculations of Nuclear Spin-Rotation Constants: Relativistic Effects in p-Block HydridesStanislav Komorovsky, Michal Repisky, Elena Malkin, et al.The Journal of Physical Chemistry Letters|August 19, 2015
The Absolute Shielding Constants of Heavy Nuclei: Resolving the Enigma of the (119)Sn Absolute ShieldingElena Malkin, Stanislav Komorovsky, Michal Repisky, et al.Pageof 20