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The Journal of Physical Chemistry Letters
|
September 21, 2023
Nonaqueous Ion Pairing Exemplifies the Case for Including Electronic Polarization in Molecular Dynamics Simulations
Vojtech Kostal, Pavel Jungwirth, Hector Martinez-Seara
The Journal of Physical Chemistry. A
|
June 24, 2021
Benzene Radical Anion Microsolvated in Ammonia Clusters: Modeling the Transition from an Unbound Resonance to a Bound Species
Vojtech Kostal, Krystof Brezina, Ondrej Marsalek, et al.
The Journal of Chemical Physics
|
January 9, 2022
Electronic structure of the solvated benzene radical anion
Krystof Brezina, Vojtech Kostal, Pavel Jungwirth, et al.
Journal of Chemical Theory and Computation
|
February 19, 2026
Bayesian Learning for Accurate and Robust Biomolecular Force Fields
Vojtech Kostal, Brennon L Shanks, Pavel Jungwirth, et al.
The Journal of Physical Chemistry Letters
|
May 4, 2023
Common Cations Are Not Polarizable: Effects of Dispersion Correction on Hydration Structures from Ab Initio Molecular Dynamics
Vojtech Kostal, Philip E Mason, Hector Martinez-Seara, et al.
Journal of Chemical Information and Modeling
|
September 9, 2024
Developing and Benchmarking Sulfate and Sulfamate Force Field Parameters via Ab Initio Molecular Dynamics Simulations To Accurately Model Glycosaminoglycan Electrostatic Interactions
Miguel Riopedre-Fernandez, Vojtech Kostal, Tomas Martinek, et al.
Journal of the American Chemical Society
|
November 28, 2022
Bridging Electrochemistry and Photoelectron Spectroscopy in the Context of Birch Reduction: Detachment Energies and Redox Potentials of Electron, Dielectron, and Benzene Radical Anion in Liquid Ammonia
Tatiana Nemirovich, Vojtech Kostal, Jakub Copko, et al.
The Journal of Chemical Physics
|
December 22, 2022
Gas phase C<sub>6</sub>H<sub>6</sub> <sup>-</sup> anion: Electronic stabilization by opening of the benzene ring
Andriy Pysanenko, Ivo S Vinklárek, Juraj Fedor, et al.
The Journal of Physical Chemistry. B
|
December 22, 2021
Photoelectron Spectroscopy of Benzene in the Liquid Phase and Dissolved in Liquid Ammonia
H Christian Schewe, Krystof Brezina, Vojtech Kostal, et al.
Nature
|
July 29, 2021
Spectroscopic evidence for a gold-coloured metallic water solution
Philip E Mason, H Christian Schewe, Tillmann Buttersack, et al.
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Showing results (1-10 of 10) with videos related to
Sort By:
Page
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The Journal of Physical Chemistry Letters
|
September 21, 2023
Nonaqueous Ion Pairing Exemplifies the Case for Including Electronic Polarization in Molecular Dynamics Simulations
Vojtech Kostal, Pavel Jungwirth, Hector Martinez-Seara
The Journal of Physical Chemistry. A
|
June 24, 2021
Benzene Radical Anion Microsolvated in Ammonia Clusters: Modeling the Transition from an Unbound Resonance to a Bound Species
Vojtech Kostal, Krystof Brezina, Ondrej Marsalek, et al.
The Journal of Chemical Physics
|
January 9, 2022
Electronic structure of the solvated benzene radical anion
Krystof Brezina, Vojtech Kostal, Pavel Jungwirth, et al.
Journal of Chemical Theory and Computation
|
February 19, 2026
Bayesian Learning for Accurate and Robust Biomolecular Force Fields
Vojtech Kostal, Brennon L Shanks, Pavel Jungwirth, et al.
The Journal of Physical Chemistry Letters
|
May 4, 2023
Common Cations Are Not Polarizable: Effects of Dispersion Correction on Hydration Structures from Ab Initio Molecular Dynamics
Vojtech Kostal, Philip E Mason, Hector Martinez-Seara, et al.
Journal of Chemical Information and Modeling
|
September 9, 2024
Developing and Benchmarking Sulfate and Sulfamate Force Field Parameters via Ab Initio Molecular Dynamics Simulations To Accurately Model Glycosaminoglycan Electrostatic Interactions
Miguel Riopedre-Fernandez, Vojtech Kostal, Tomas Martinek, et al.
Journal of the American Chemical Society
|
November 28, 2022
Bridging Electrochemistry and Photoelectron Spectroscopy in the Context of Birch Reduction: Detachment Energies and Redox Potentials of Electron, Dielectron, and Benzene Radical Anion in Liquid Ammonia
Tatiana Nemirovich, Vojtech Kostal, Jakub Copko, et al.
The Journal of Chemical Physics
|
December 22, 2022
Gas phase C<sub>6</sub>H<sub>6</sub> <sup>-</sup> anion: Electronic stabilization by opening of the benzene ring
Andriy Pysanenko, Ivo S Vinklárek, Juraj Fedor, et al.
The Journal of Physical Chemistry. B
|
December 22, 2021
Photoelectron Spectroscopy of Benzene in the Liquid Phase and Dissolved in Liquid Ammonia
H Christian Schewe, Krystof Brezina, Vojtech Kostal, et al.
Nature
|
July 29, 2021
Spectroscopic evidence for a gold-coloured metallic water solution
Philip E Mason, H Christian Schewe, Tillmann Buttersack, et al.
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