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The Journal of Chemical Physics
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August 28, 2025
Optimizing machine learning interatomic potentials for hydroxide transport: Surprising efficiency of single-concentration training
Jonas Hänseroth, Christian Dreßler
Physical Chemistry Chemical Physics : PCCP
|
March 11, 2020
Effect of anion reorientation on proton mobility in the solid acids family CsH<sub>y</sub>XO<sub>4</sub> (X = S, P, Se, y = 1, 2) from ab initio molecular dynamics simulations
Christian Dreßler, Daniel Sebastiani
ACS Omega
|
February 9, 2026
Predicting <sup>31</sup>P NMR Shifts in Large-Scale, Heterogeneous Databases by Gas Phase DFT: Impact of Conformer and Solvent Effects
Robert Geitner, Christian Dreßler
Physical Chemistry Chemical Physics : PCCP
|
October 19, 2017
Proton mobility in aqueous systems: combining ab initio accuracy with millisecond timescales
Gabriel Kabbe, Christian Dreßler, Daniel Sebastiani
The Journal of Physical Chemistry Letters
|
August 8, 2023
Coexistence of Cationic and Anionic Phosphate Moieties in Solids: Unusual but Not Impossible
Christian Dreßler, Jonas Hänseroth, Daniel Sebastiani
Molecules (Basel, Switzerland)
|
December 8, 2020
ab-Initio Study of Hydrogen Bond Networks in 1,2,3-Triazole Phases
Christopher Peschel, Christian Dreßler, Daniel Sebastiani
The Journal of Chemical Physics
|
May 3, 2020
Exploring non-equilibrium molecular dynamics of mobile protons in the solid acid CsH<sub>2</sub>PO<sub>4</sub> at the micrometer and microsecond scale
Christian Dreßler, Gabriel Kabbe, Martin Brehm, et al.
The Journal of Chemical Physics
|
April 17, 2016
Generalization of the electronic susceptibility for arbitrary molecular geometries
Arne Scherrer, Christian Dreßler, Paul Ahlert, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
August 30, 2024
Assignment of a Physical Energy Scale for the Dimensionless Interaction Energies within the PRIME20 Peptide Model
Thomas Kunze, Christian Lauer, Christian Dreßler, et al.
The Journal of Chemical Physics
|
March 23, 2020
Dynamical matrix propagator scheme for large-scale proton dynamics simulations
Christian Dreßler, Gabriel Kabbe, Martin Brehm, et al.
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of 2
Search research articles
Search
Showing results (1-10 of 20) with videos related to
Sort By:
Page
of 2
The Journal of Chemical Physics
|
August 28, 2025
Optimizing machine learning interatomic potentials for hydroxide transport: Surprising efficiency of single-concentration training
Jonas Hänseroth, Christian Dreßler
Physical Chemistry Chemical Physics : PCCP
|
March 11, 2020
Effect of anion reorientation on proton mobility in the solid acids family CsH<sub>y</sub>XO<sub>4</sub> (X = S, P, Se, y = 1, 2) from ab initio molecular dynamics simulations
Christian Dreßler, Daniel Sebastiani
ACS Omega
|
February 9, 2026
Predicting <sup>31</sup>P NMR Shifts in Large-Scale, Heterogeneous Databases by Gas Phase DFT: Impact of Conformer and Solvent Effects
Robert Geitner, Christian Dreßler
Physical Chemistry Chemical Physics : PCCP
|
October 19, 2017
Proton mobility in aqueous systems: combining ab initio accuracy with millisecond timescales
Gabriel Kabbe, Christian Dreßler, Daniel Sebastiani
The Journal of Physical Chemistry Letters
|
August 8, 2023
Coexistence of Cationic and Anionic Phosphate Moieties in Solids: Unusual but Not Impossible
Christian Dreßler, Jonas Hänseroth, Daniel Sebastiani
Molecules (Basel, Switzerland)
|
December 8, 2020
ab-Initio Study of Hydrogen Bond Networks in 1,2,3-Triazole Phases
Christopher Peschel, Christian Dreßler, Daniel Sebastiani
The Journal of Chemical Physics
|
May 3, 2020
Exploring non-equilibrium molecular dynamics of mobile protons in the solid acid CsH<sub>2</sub>PO<sub>4</sub> at the micrometer and microsecond scale
Christian Dreßler, Gabriel Kabbe, Martin Brehm, et al.
The Journal of Chemical Physics
|
April 17, 2016
Generalization of the electronic susceptibility for arbitrary molecular geometries
Arne Scherrer, Christian Dreßler, Paul Ahlert, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
August 30, 2024
Assignment of a Physical Energy Scale for the Dimensionless Interaction Energies within the PRIME20 Peptide Model
Thomas Kunze, Christian Lauer, Christian Dreßler, et al.
The Journal of Chemical Physics
|
March 23, 2020
Dynamical matrix propagator scheme for large-scale proton dynamics simulations
Christian Dreßler, Gabriel Kabbe, Martin Brehm, et al.
Page
of 2