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Inorganic Chemistry
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November 23, 2020
First-Principles Calculation of <sup>1</sup>H NMR Chemical Shifts of Complex Metal Polyhydrides: The Essential Inclusion of Relativity and Dynamics
Abril C Castro, David Balcells, Michal Repisky, 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 Hydrides
Stanislav 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 Shielding
Elena Malkin, Stanislav Komorovsky, Michal Repisky, et al.
Angewandte Chemie (International Ed. in English)
|
February 28, 2014
Dismutational and global-minimum isomers of heavier 1,4-dimetallatetrasilabenzenes of Group 14
Anukul Jana, Volker Huch, Michal Repisky, et al.
Journal of Chemical Theory and Computation
|
November 19, 2015
Cob(II)alamin: Relativistic DFT Analysis of the EPR Parameters
Taye B Demissie, Michal Repisky, Hui Liu, et al.
The Journal of Physical Chemistry Letters
|
August 28, 2025
Light-Induced Persistent Electronic Chirality in Achiral Molecules Probed with Time-Resolved Electronic Circular Dichroism Spectroscopy
Torsha Moitra, Lukas Konecny, Marius Kadek, et al.
The Journal of Chemical Physics
|
January 5, 2017
Indirect NMR spin-spin coupling constants in diatomic alkali halides
Michał Jaszuński, Andrej Antušek, Taye B Demissie, et al.
The Journal of Chemical Physics
|
November 1, 2022
The four-component DFT method for the calculation of the EPR g-tensor using a restricted magnetically balanced basis and London atomic orbitals
Debora Misenkova, Florian Lemken, Michal Repisky, 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 Properties
Lukas Konecny, Marius Kadek, Stanislav Komorovsky, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
October 14, 2017
Relativistic DFT Calculations of Hyperfine Coupling Constants in 5d Hexafluorido Complexes: [ReF<sub>6</sub> ]<sup>2-</sup> and [IrF<sub>6</sub> ]<sup>2</sup>
Pi A B Haase, Michal Repisky, Stanislav Komorovsky, et al.
Page
of 5
Search research articles
Search
Showing results (21-30 of 42) with videos related to
Sort By:
Page
of 5
Inorganic Chemistry
|
November 23, 2020
First-Principles Calculation of <sup>1</sup>H NMR Chemical Shifts of Complex Metal Polyhydrides: The Essential Inclusion of Relativity and Dynamics
Abril C Castro, David Balcells, Michal Repisky, 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 Hydrides
Stanislav 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 Shielding
Elena Malkin, Stanislav Komorovsky, Michal Repisky, et al.
Angewandte Chemie (International Ed. in English)
|
February 28, 2014
Dismutational and global-minimum isomers of heavier 1,4-dimetallatetrasilabenzenes of Group 14
Anukul Jana, Volker Huch, Michal Repisky, et al.
Journal of Chemical Theory and Computation
|
November 19, 2015
Cob(II)alamin: Relativistic DFT Analysis of the EPR Parameters
Taye B Demissie, Michal Repisky, Hui Liu, et al.
The Journal of Physical Chemistry Letters
|
August 28, 2025
Light-Induced Persistent Electronic Chirality in Achiral Molecules Probed with Time-Resolved Electronic Circular Dichroism Spectroscopy
Torsha Moitra, Lukas Konecny, Marius Kadek, et al.
The Journal of Chemical Physics
|
January 5, 2017
Indirect NMR spin-spin coupling constants in diatomic alkali halides
Michał Jaszuński, Andrej Antušek, Taye B Demissie, et al.
The Journal of Chemical Physics
|
November 1, 2022
The four-component DFT method for the calculation of the EPR g-tensor using a restricted magnetically balanced basis and London atomic orbitals
Debora Misenkova, Florian Lemken, Michal Repisky, 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 Properties
Lukas Konecny, Marius Kadek, Stanislav Komorovsky, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
October 14, 2017
Relativistic DFT Calculations of Hyperfine Coupling Constants in 5d Hexafluorido Complexes: [ReF<sub>6</sub> ]<sup>2-</sup> and [IrF<sub>6</sub> ]<sup>2</sup>
Pi A B Haase, Michal Repisky, Stanislav Komorovsky, et al.
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of 5