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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.
Inorganic Chemistry
|
November 30, 2017
Hyperfine Effects in Ligand NMR: Paramagnetic Ru(III) Complexes with 3-Substituted Pyridines
Jan Novotný, David Přichystal, Martin Sojka, et al.
Inorganic Chemistry
|
June 16, 2021
Crystal and Substituent Effects on Paramagnetic NMR Shifts in Transition-Metal Complexes
Jan Novotný, Lukáš Jeremias, Patrick Nimax, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
March 1, 2022
Relativistic Spin-Orbit Electronegativity and the Chemical Bond Between a Heavy Atom and a Light Atom
Ben Joseph R Cuyacot, Jan Novotný, Raphael J F Berger, 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.
Chemical Reviews
|
June 24, 2020
Relativistic Heavy-Neighbor-Atom Effects on NMR Shifts: Concepts and Trends Across the Periodic Table
Jan Vı Cha, Jan Novotný, 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 Properties
Lukas Konecny, Marius Kadek, Stanislav Komorovsky, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
April 12, 2022
Relativistic Spin-Orbit Electronegativity and the Chemical Bond Between a Heavy Atom and a Light Atom
Ben Joseph R Cuyacot, Jan Novotný, Raphael J F Berger, 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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Search research articles
Search
Showing results (21-30 of 39) with videos related to
Sort By:
Page
of 4
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.
Inorganic Chemistry
|
November 30, 2017
Hyperfine Effects in Ligand NMR: Paramagnetic Ru(III) Complexes with 3-Substituted Pyridines
Jan Novotný, David Přichystal, Martin Sojka, et al.
Inorganic Chemistry
|
June 16, 2021
Crystal and Substituent Effects on Paramagnetic NMR Shifts in Transition-Metal Complexes
Jan Novotný, Lukáš Jeremias, Patrick Nimax, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
March 1, 2022
Relativistic Spin-Orbit Electronegativity and the Chemical Bond Between a Heavy Atom and a Light Atom
Ben Joseph R Cuyacot, Jan Novotný, Raphael J F Berger, 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.
Chemical Reviews
|
June 24, 2020
Relativistic Heavy-Neighbor-Atom Effects on NMR Shifts: Concepts and Trends Across the Periodic Table
Jan Vı Cha, Jan Novotný, 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 Properties
Lukas Konecny, Marius Kadek, Stanislav Komorovsky, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
April 12, 2022
Relativistic Spin-Orbit Electronegativity and the Chemical Bond Between a Heavy Atom and a Light Atom
Ben Joseph R Cuyacot, Jan Novotný, Raphael J F Berger, 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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