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Physical Chemistry Chemical Physics : PCCP
|
September 8, 2015
Structure, solvent, and relativistic effects on the NMR chemical shifts in square-planar transition-metal complexes: assessment of DFT approaches
Jan Vícha, Jan Novotný, Michal Straka, et al.
JACS Au
|
June 26, 2026
Link between Spin-Orbit Relativity and Magnetically Induced Current Densities in Heavy-Atom Hydrides: <i>trans</i>-Ligand Influence
Daniel Blasco, Jan Novotný, James R Asher, et al.
Journal of Chemical Theory and Computation
|
July 7, 2017
Linking the Character of the Metal-Ligand Bond to the Ligand NMR Shielding in Transition-Metal Complexes: NMR Contributions from Spin-Orbit Coupling
Jan Novotný, Jan Vícha, Pankaj L Bora, et al.
Journal of Chemical Theory and Computation
|
November 19, 2015
Excitation Energies from Real-Time Propagation of the Four-Component Dirac-Kohn-Sham Equation
Michal Repisky, Lukas Konecny, Marius Kadek, et al.
The Journal of Chemical Physics
|
December 24, 2013
Spin-rotation and NMR shielding constants in HCl
Michał Jaszuński, Michal Repisky, Taye B Demissie, et al.
Dalton Transactions (Cambridge, England : 2003)
|
March 28, 2019
Four-component relativistic <sup>31</sup>P NMR calculations for trans-platinum(ii) complexes: importance of the solvent and dynamics in spectral simulations
Abril C Castro, Heike Fliegl, Michele Cascella, et al.
The Journal of Chemical Physics
|
May 17, 2020
ReSpect: Relativistic spectroscopy DFT program package
Michal Repisky, Stanislav Komorovsky, Marius Kadek, et al.
Dalton Transactions (Cambridge, England : 2003)
|
August 30, 2017
cis-Tetrachlorido-bis(indazole)osmium(iv) and its osmium(iii) analogues: paving the way towards the cis-isomer of the ruthenium anticancer drugs KP1019 and/or NKP1339
Gabriel E Büchel, Susanne Kossatz, Ahmad Sadique, et al.
The Journal of Physical Chemistry. A
|
August 18, 2025
X2C Hamiltonian Models in ReSpect: Bridging Accuracy and Efficiency
Michal Repisky, Stanislav Komorovsky, Lukas Konecny, et al.
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Search research articles
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Showing results (31-40 of 39) with videos related to
Sort By:
Page
of 4
You have reached the last page of results.
This site can display upto 39 results.
Physical Chemistry Chemical Physics : PCCP
|
September 8, 2015
Structure, solvent, and relativistic effects on the NMR chemical shifts in square-planar transition-metal complexes: assessment of DFT approaches
Jan Vícha, Jan Novotný, Michal Straka, et al.
JACS Au
|
June 26, 2026
Link between Spin-Orbit Relativity and Magnetically Induced Current Densities in Heavy-Atom Hydrides: <i>trans</i>-Ligand Influence
Daniel Blasco, Jan Novotný, James R Asher, et al.
Journal of Chemical Theory and Computation
|
July 7, 2017
Linking the Character of the Metal-Ligand Bond to the Ligand NMR Shielding in Transition-Metal Complexes: NMR Contributions from Spin-Orbit Coupling
Jan Novotný, Jan Vícha, Pankaj L Bora, et al.
Journal of Chemical Theory and Computation
|
November 19, 2015
Excitation Energies from Real-Time Propagation of the Four-Component Dirac-Kohn-Sham Equation
Michal Repisky, Lukas Konecny, Marius Kadek, et al.
The Journal of Chemical Physics
|
December 24, 2013
Spin-rotation and NMR shielding constants in HCl
Michał Jaszuński, Michal Repisky, Taye B Demissie, et al.
Dalton Transactions (Cambridge, England : 2003)
|
March 28, 2019
Four-component relativistic <sup>31</sup>P NMR calculations for trans-platinum(ii) complexes: importance of the solvent and dynamics in spectral simulations
Abril C Castro, Heike Fliegl, Michele Cascella, et al.
The Journal of Chemical Physics
|
May 17, 2020
ReSpect: Relativistic spectroscopy DFT program package
Michal Repisky, Stanislav Komorovsky, Marius Kadek, et al.
Dalton Transactions (Cambridge, England : 2003)
|
August 30, 2017
cis-Tetrachlorido-bis(indazole)osmium(iv) and its osmium(iii) analogues: paving the way towards the cis-isomer of the ruthenium anticancer drugs KP1019 and/or NKP1339
Gabriel E Büchel, Susanne Kossatz, Ahmad Sadique, et al.
The Journal of Physical Chemistry. A
|
August 18, 2025
X2C Hamiltonian Models in ReSpect: Bridging Accuracy and Efficiency
Michal Repisky, Stanislav Komorovsky, Lukas Konecny, et al.
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of 4