Search research articles
Contact Us
Filters
Showing results (1-10 of 35) with videos related to
Page
of 4
Sort By:
The Journal of Physical Chemistry. A
|
November 21, 2014
Benchmarking the DFT+U method for thermochemical calculations of uranium molecular compounds and solids
George Beridze, Piotr M Kowalski
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
August 4, 2021
Properties of the Pt(111)/electrolyte electrochemical interface studied with a hybrid DFT-solvation approach
Rebekka Tesch, Piotr M Kowalski, Michael H Eikerling
Physical Chemistry Chemical Physics : PCCP
|
May 7, 2024
The electrocatalytic activity for the hydrogen evolution reaction on alloys is determined by element-specific adsorption sites rather than d-band properties
Maximilian Schalenbach, Rebekka Tesch, Piotr M Kowalski, et al.
Journal of Chemical Theory and Computation
|
January 7, 2026
Getting the Manifold Right: The Crucial Role of Orbital Resolution in DFT+<i>U</i> for Mixed d-f Electron Compounds
Kinga Warda, Eric Macke, Iurii Timrov, et al.
The Journal of Chemical Physics
|
November 7, 2012
Vibrational mode frequencies of H4SiO4, D4SiO4, H6Si2O7, and H6Si3O9 in aqueous environment, obtained from ab initio molecular dynamics
Georg Spiekermann, Matthew Steele-MacInnis, Piotr M Kowalski, et al.
Journal of Computational Chemistry
|
April 25, 2014
Performance of DFT+U method for prediction of structural and thermodynamic parameters of monazite-type ceramics
Ariadna Blanca Romero, Piotr M Kowalski, George Beridze, et al.
Physical Review Letters
|
January 15, 2011
Charge localization dynamics induced by oxygen vacancies on the TiO₂(110) surface
Piotr M Kowalski, Matteo Farnesi Camellone, Nisanth N Nair, et al.
The Journal of Physical Chemistry. B
|
November 14, 2024
Understanding the Mid-Infrared Spectra of Protic Ionic Liquids by Density Functional Theory
Yingzhen Chen, Christian Rodenbücher, Adrien Morice, et al.
Inorganic Chemistry
|
June 7, 2021
Achieving and Stabilizing Uranyl Bending via Physical Pressure
Eike M Langer, Philip Kegler, Piotr M Kowalski, et al.
Nature Communications
|
June 13, 2023
Low-spin state of Fe in Fe-doped NiOOH electrocatalysts
Zheng-Da He, Rebekka Tesch, Mohammad J Eslamibidgoli, et al.
Page
of 4
Search research articles
Search
Showing results (1-10 of 35) with videos related to
Sort By:
Page
of 4
The Journal of Physical Chemistry. A
|
November 21, 2014
Benchmarking the DFT+U method for thermochemical calculations of uranium molecular compounds and solids
George Beridze, Piotr M Kowalski
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
August 4, 2021
Properties of the Pt(111)/electrolyte electrochemical interface studied with a hybrid DFT-solvation approach
Rebekka Tesch, Piotr M Kowalski, Michael H Eikerling
Physical Chemistry Chemical Physics : PCCP
|
May 7, 2024
The electrocatalytic activity for the hydrogen evolution reaction on alloys is determined by element-specific adsorption sites rather than d-band properties
Maximilian Schalenbach, Rebekka Tesch, Piotr M Kowalski, et al.
Journal of Chemical Theory and Computation
|
January 7, 2026
Getting the Manifold Right: The Crucial Role of Orbital Resolution in DFT+<i>U</i> for Mixed d-f Electron Compounds
Kinga Warda, Eric Macke, Iurii Timrov, et al.
The Journal of Chemical Physics
|
November 7, 2012
Vibrational mode frequencies of H4SiO4, D4SiO4, H6Si2O7, and H6Si3O9 in aqueous environment, obtained from ab initio molecular dynamics
Georg Spiekermann, Matthew Steele-MacInnis, Piotr M Kowalski, et al.
Journal of Computational Chemistry
|
April 25, 2014
Performance of DFT+U method for prediction of structural and thermodynamic parameters of monazite-type ceramics
Ariadna Blanca Romero, Piotr M Kowalski, George Beridze, et al.
Physical Review Letters
|
January 15, 2011
Charge localization dynamics induced by oxygen vacancies on the TiO₂(110) surface
Piotr M Kowalski, Matteo Farnesi Camellone, Nisanth N Nair, et al.
The Journal of Physical Chemistry. B
|
November 14, 2024
Understanding the Mid-Infrared Spectra of Protic Ionic Liquids by Density Functional Theory
Yingzhen Chen, Christian Rodenbücher, Adrien Morice, et al.
Inorganic Chemistry
|
June 7, 2021
Achieving and Stabilizing Uranyl Bending via Physical Pressure
Eike M Langer, Philip Kegler, Piotr M Kowalski, et al.
Nature Communications
|
June 13, 2023
Low-spin state of Fe in Fe-doped NiOOH electrocatalysts
Zheng-Da He, Rebekka Tesch, Mohammad J Eslamibidgoli, et al.
Page
of 4