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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.
Inorganic Chemistry
|
July 14, 2018
Interplay of Through-Bond Hyperfine and Substituent Effects on the NMR Chemical Shifts in Ru(III) Complexes
Lukáš Jeremias, Jan Novotný, Michal Repisky, et al.
The Journal of Chemical Physics
|
March 10, 2015
Communication: The absolute shielding scales of oxygen and sulfur revisited
Stanislav Komorovsky, Michal Repisky, Elena Malkin, et al.
The Journal of Chemical Physics
|
September 22, 2022
Exact two-component Hamiltonians for relativistic quantum chemistry: Two-electron picture-change corrections made simple
Stefan Knecht, Michal Repisky, Hans Jørgen Aagaard Jensen, et al.
The Journal of Physical Chemistry. A
|
May 29, 2020
NMR Spin-Spin Coupling Constants Derived from Relativistic Four-Component DFT Theory-Analysis and Visualization
Stanislav Komorovsky, Katarzyna Jakubowska, Paweł Świder, 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 Cost
Lukas Konecny, Stanislav Komorovsky, Jan Vicha, et al.
The Journal of Chemical Physics
|
December 4, 2018
Resolution-of-identity accelerated relativistic two- and four-component electron dynamics approach to chiroptical spectroscopies
Lukas Konecny, Marius Kadek, Stanislav Komorovsky, et al.
The Journal of Physical Chemistry Letters
|
February 9, 2023
Accurate Relativistic Real-Time Time-Dependent Density Functional Theory for Valence and Core Attosecond Transient Absorption Spectroscopy
Torsha Moitra, Lukas Konecny, Marius Kadek, et al.
The Journal of Chemical Physics
|
March 23, 2015
Relativistic four-component calculations of indirect nuclear spin-spin couplings with efficient evaluation of the exchange-correlation response kernel
Anežka Křístková, Stanislav Komorovsky, Michal Repisky, et al.
The Journal of Physical Chemistry. A
|
November 29, 2013
Four-component relativistic density functional theory calculations of NMR shielding tensors for paramagnetic systems
Stanislav Komorovsky, Michal Repisky, Kenneth Ruud, et al.
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Search research articles
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Showing results (11-20 of 42) with videos related to
Sort By:
Page
of 5
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.
Inorganic Chemistry
|
July 14, 2018
Interplay of Through-Bond Hyperfine and Substituent Effects on the NMR Chemical Shifts in Ru(III) Complexes
Lukáš Jeremias, Jan Novotný, Michal Repisky, et al.
The Journal of Chemical Physics
|
March 10, 2015
Communication: The absolute shielding scales of oxygen and sulfur revisited
Stanislav Komorovsky, Michal Repisky, Elena Malkin, et al.
The Journal of Chemical Physics
|
September 22, 2022
Exact two-component Hamiltonians for relativistic quantum chemistry: Two-electron picture-change corrections made simple
Stefan Knecht, Michal Repisky, Hans Jørgen Aagaard Jensen, et al.
The Journal of Physical Chemistry. A
|
May 29, 2020
NMR Spin-Spin Coupling Constants Derived from Relativistic Four-Component DFT Theory-Analysis and Visualization
Stanislav Komorovsky, Katarzyna Jakubowska, Paweł Świder, 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 Cost
Lukas Konecny, Stanislav Komorovsky, Jan Vicha, et al.
The Journal of Chemical Physics
|
December 4, 2018
Resolution-of-identity accelerated relativistic two- and four-component electron dynamics approach to chiroptical spectroscopies
Lukas Konecny, Marius Kadek, Stanislav Komorovsky, et al.
The Journal of Physical Chemistry Letters
|
February 9, 2023
Accurate Relativistic Real-Time Time-Dependent Density Functional Theory for Valence and Core Attosecond Transient Absorption Spectroscopy
Torsha Moitra, Lukas Konecny, Marius Kadek, et al.
The Journal of Chemical Physics
|
March 23, 2015
Relativistic four-component calculations of indirect nuclear spin-spin couplings with efficient evaluation of the exchange-correlation response kernel
Anežka Křístková, Stanislav Komorovsky, Michal Repisky, et al.
The Journal of Physical Chemistry. A
|
November 29, 2013
Four-component relativistic density functional theory calculations of NMR shielding tensors for paramagnetic systems
Stanislav Komorovsky, Michal Repisky, Kenneth Ruud, et al.
Page
of 5