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Accounts of Chemical Research
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April 30, 2024
Paramagnetic Effects in NMR Spectroscopy of Transition-Metal Complexes: Principles and Chemical Concepts
Jan Novotny, Stanislav Komorovsky, Radek Marek
The Journal of Chemical Physics
|
November 17, 2019
Four-component relativistic time-dependent density-functional theory using a stable noncollinear DFT ansatz applicable to both closed- and open-shell systems
Stanislav Komorovsky, Peter J Cherry, Michal Repisky
The Journal of Chemical Physics
|
November 24, 2019
Relativistic four-component linear damped response TDDFT for electronic absorption and circular dichroism calculations
Lukas Konecny, Michal Repisky, Kenneth Ruud, et al.
Physical Review Letters
|
August 12, 2025
Hyperfine Rovibrational States of H_{3}^{+} in a Weak External Magnetic Field
Gustavo Avila, Ayaki Sunaga, Stanislav Komorovsky, et al.
Inorganic Chemistry
|
December 27, 2021
Accurate X-ray Absorption Spectra near L- and M-Edges from Relativistic Four-Component Damped Response Time-Dependent Density Functional Theory
Lukas Konecny, Jan Vicha, Stanislav Komorovsky, et al.
Journal of Chemical Theory and Computation
|
April 21, 2018
Relativistic Spin-Orbit Heavy Atom on the Light Atom NMR Chemical Shifts: General Trends Across the Periodic Table Explained
Jan Vícha, Stanislav Komorovsky, Michal Repisky, et al.
Journal of Chemical Theory and Computation
|
March 10, 2023
Quadratic Spin-Orbit Mechanism of the Electronic g-Tensor
Petra Pikulová, Debora Misenkova, Radek Marek, et al.
The Journal of Chemical Physics
|
July 9, 2021
Spin-orbit coupling from a two-component self-consistent approach. II. Non-collinear density functional theories
Jacques K Desmarais, Stanislav Komorovsky, Jean-Pierre Flament, et al.
Journal of the American Chemical Society
|
June 18, 2016
Interpreting the Paramagnetic NMR Spectra of Potential Ru(III) Metallodrugs: Synergy between Experiment and Relativistic DFT Calculations
Jan Novotný, Martin Sojka, Stanislav Komorovsky, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
November 7, 2015
Four-Component Relativistic DFT Calculations of (13)C Chemical Shifts of Halogenated Natural Substances
Girolamo Casella, Alessandro Bagno, Stanislav Komorovsky, et al.
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of 4
Search research articles
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Showing results (1-10 of 39) with videos related to
Sort By:
Page
of 4
Accounts of Chemical Research
|
April 30, 2024
Paramagnetic Effects in NMR Spectroscopy of Transition-Metal Complexes: Principles and Chemical Concepts
Jan Novotny, Stanislav Komorovsky, Radek Marek
The Journal of Chemical Physics
|
November 17, 2019
Four-component relativistic time-dependent density-functional theory using a stable noncollinear DFT ansatz applicable to both closed- and open-shell systems
Stanislav Komorovsky, Peter J Cherry, Michal Repisky
The Journal of Chemical Physics
|
November 24, 2019
Relativistic four-component linear damped response TDDFT for electronic absorption and circular dichroism calculations
Lukas Konecny, Michal Repisky, Kenneth Ruud, et al.
Physical Review Letters
|
August 12, 2025
Hyperfine Rovibrational States of H_{3}^{+} in a Weak External Magnetic Field
Gustavo Avila, Ayaki Sunaga, Stanislav Komorovsky, et al.
Inorganic Chemistry
|
December 27, 2021
Accurate X-ray Absorption Spectra near L- and M-Edges from Relativistic Four-Component Damped Response Time-Dependent Density Functional Theory
Lukas Konecny, Jan Vicha, Stanislav Komorovsky, et al.
Journal of Chemical Theory and Computation
|
April 21, 2018
Relativistic Spin-Orbit Heavy Atom on the Light Atom NMR Chemical Shifts: General Trends Across the Periodic Table Explained
Jan Vícha, Stanislav Komorovsky, Michal Repisky, et al.
Journal of Chemical Theory and Computation
|
March 10, 2023
Quadratic Spin-Orbit Mechanism of the Electronic g-Tensor
Petra Pikulová, Debora Misenkova, Radek Marek, et al.
The Journal of Chemical Physics
|
July 9, 2021
Spin-orbit coupling from a two-component self-consistent approach. II. Non-collinear density functional theories
Jacques K Desmarais, Stanislav Komorovsky, Jean-Pierre Flament, et al.
Journal of the American Chemical Society
|
June 18, 2016
Interpreting the Paramagnetic NMR Spectra of Potential Ru(III) Metallodrugs: Synergy between Experiment and Relativistic DFT Calculations
Jan Novotný, Martin Sojka, Stanislav Komorovsky, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
November 7, 2015
Four-Component Relativistic DFT Calculations of (13)C Chemical Shifts of Halogenated Natural Substances
Girolamo Casella, Alessandro Bagno, Stanislav Komorovsky, et al.
Page
of 4