Alt i norske vitenarkiv i én tjeneste (NORA)
Filter
Search
  1. Four-component relativistic time-dependent density-functional theory using a stable noncollinear DFT ansatz applicable to both closed- and open-shell systems
    (2019)
    - AIP Publishing
    • Komorovsky, Stanislav
    • Cherry, Peter J.
    • Repisky, Michal
    - Tidsskriftsartikkel
    - inMunin
  2. Relativistic four-component linear damped response TDDFT for electronic absorption and circular dichroism calculations
    (2019)
    - AIP Publishing
    • Konecny, Lukas
    • Repisky, Michal
    • Ruud, Kenneth
    (and 1 more...)

    Konecny, Lukas

    Repisky, Michal

    Ruud, Kenneth

    Komorovsky, Stanislav

    - Tidsskriftsartikkel
    - inMunin
  3. All-electron fully relativistic Kohn-Sham theory for solids based on the Dirac-Coulomb Hamiltonian and Gaussian-type functions
    (2019)
    - American Physical Society
    • Kadek, Marius
    • Repisky, Michal
    • Ruud, Kenneth
    - Tidsskriftsartikkel
    - inMunin
  4. Resolution-of-identity accelerated relativistic two- and four-component electron dynamics approach to chiroptical spectroscopies
    (2018)
    - AIP Publishing
    • Konecny, Lukas
    • Kadek, Marius
    • Komorovsky, Stanislav
    (and 2 more...)

    Konecny, Lukas

    Kadek, Marius

    Komorovsky, Stanislav

    Ruud, Kenneth

    Repisky, Michal

    - Tidsskriftsartikkel
    - inMunin
  5. Linking the Character of the Metal-Ligand Bond to the Ligand NMR Shielding in Transition-Metal Complexes: NMR Contributions from Spin-Orbit Coupling
    (2017)
    - American Chemical Society
    • Novotný, Jan
    • Vícha, Jan
    • Bora, Pankaj L.
    (and 4 more...)

    Novotný, Jan

    Vícha, Jan

    Bora, Pankaj L.

    Repisky, Michal

    Straka, Michal

    Komorovsky, Stanislav

    Marek, Radek

    - Tidsskriftsartikkel
    - inMunin
  6. Indirect NMR spin-spin coupling constants in diatomic alkali halides
    (2016)
    - AIP Publishing
    • Jaszuński, Michał
    • Antušek, Andrej
    • Demissie, Taye Beyene
    (and 3 more...)

    Jaszuński, Michał

    Antušek, Andrej

    Demissie, Taye Beyene

    Komorovsky, Stanislav

    Repisky, Michal

    Ruud, Kenneth

    - Tidsskriftsartikkel
    - inMunin
  7. Spin-rotation and NMR shielding constants in HCl
    (2013)
    - American Institute of Physics (AIP)
    • Jaszunski, Michal
    • Repisky, Michal
    • Demissie, Taye B.
    (and 6 more...)

    Jaszunski, Michal

    Repisky, Michal

    Demissie, Taye B.

    Komorovsky, Stanislav

    Malkin, Elena

    Ruud, Kenneth

    Garbacz, Piotr

    Jackowski, Karol

    Makulski, W

    - Tidsskriftsartikkel
    - inMunin
  8. Experimental and four-component relativistic DFT studies of tungsten carbonyl complexes
    (2015)
    - Wiley
    • Demissie, Taye Beyene
    • Kostenko, Nataliya
    • Komorovsky, Stanislav
    (and 4 more...)

    Demissie, Taye Beyene

    Kostenko, Nataliya

    Komorovsky, Stanislav

    Repisky, Michal

    Isaksson, Johan

    Bayer, Annette

    Ruud, Kenneth

    - Tidsskriftsartikkel
    - inMunin
  9. Four-component relativistic density functional theory with the polarisable continuum model: application to EPR parameters and paramagnetic NMR shifts
    (2016)
    - Taylor & Francis: STM, Behavioural Science and Public Health Titles. Molecular Physics
    • Di Remigio, Roberto
    • Repisky, Michal
    • Komorovsky, Stanislav
    (and 3 more...)

    Di Remigio, Roberto

    Repisky, Michal

    Komorovsky, Stanislav

    Hrobárik, Peter

    Frediani, Luca

    Ruud, Kenneth

    - Tidsskriftsartikkel
    - inMunin
  10. Communication: The absolute shielding scales of oxygen and sulfur revisited
    (2015)
    - American Institute of Physics
    • Komorovsky, Stanislav
    • Repisky, Michal
    • Malkin, Elena
    (and 2 more...)

    Komorovsky, Stanislav

    Repisky, Michal

    Malkin, Elena

    Ruud, Kenneth

    Gauss, Jürgen

    - Tidsskriftsartikkel
    - inMunin
  11. How does relativity affect magnetically induced currents?
    (2015)
    - Royal Society of Chemistry
    • Berger, Raphael Johann Friedrich
    • Repisky, Michal
    • Komorovsky, Stanislav
    - Tidsskriftsartikkel
    - inMunin
  12. Absolute NMR shielding scales and nuclear spin–rotation constants in 175LuX and 197AuX (X= 19F, 35Cl, 79Br and 127I)
    (2015)
    - American Institute of Physics
    • Demissie, Taye Beyene
    • Jaszuński, Michal
    • Komorovsky, Stanislav
    (and 2 more...)

    Demissie, Taye Beyene

    Jaszuński, Michal

    Komorovsky, Stanislav

    Repisky, Michal

    Ruud, Kenneth

    - Tidsskriftsartikkel
    - inMunin
  13. Excitation Energies from Real-Time Propagation of the Four-Component Dirac–Kohn–Sham Equation
    (2015)
    - American Chemical Society
    • Repisky, Michal
    • Konecny, Lukas
    • Kadek, Marius
    (and 4 more...)

    Repisky, Michal

    Konecny, Lukas

    Kadek, Marius

    Komorovsky, Stanislav

    Malkina, Olga L.

    Malkin, Vladimir G.

    Ruud, Kenneth

    - Tidsskriftsartikkel
    - inMunin
  14. Four-Component Relativistic Density-Functional Theory Calculations of Nuclear Spin-Rotation Constants: Relativistic Effects in p-Block Hydrides
    (2015)
    - American Chemical Society
    • Komorovsky, Stanislav
    • Repisky, Michal
    • Malkin, Elena
    (and 2 more...)

    Komorovsky, Stanislav

    Repisky, Michal

    Malkin, Elena

    Demissie, Taye Beyene

    Ruud, Kenneth

    - Tidsskriftsartikkel
    - inMunin
  15. Structure, solvent, and relativistic effects on the NMR chemical shifts in square-planar transition-metal complexes: Assessment of DFT approaches
    (2015)
    - Royal Society of Chemistry
    • Vicha, Jan
    • Novotny, Jan
    • Straka, Michal
    (and 4 more...)

    Vicha, Jan

    Novotny, Jan

    Straka, Michal

    Repisky, Michal

    Ruud, Kenneth

    Komorovsky, Stanislav

    Marek, Radek

    - Tidsskriftsartikkel
    - inMunin