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The Journal of Physical Chemistry. A
|
May 26, 2022
Conformational Energy Benchmark for Longer <i>n</i>-Alkane Chains
Sebastian Ehlert, Stefan Grimme, Andreas Hansen
The Journal of Physical Chemistry. A
|
August 11, 2023
Extended Conductor-like Polarizable Continuum Solvation Model (CPCM-X) for Semiempirical Methods
Marcel Stahn, Sebastian Ehlert, Stefan Grimme
Journal of Chemical Theory and Computation
|
February 12, 2019
GFN2-xTB-An Accurate and Broadly Parametrized Self-Consistent Tight-Binding Quantum Chemical Method with Multipole Electrostatics and Density-Dependent Dispersion Contributions
Christoph Bannwarth, Sebastian Ehlert, Stefan Grimme
The Journal of Chemical Physics
|
August 9, 2024
dxtb-An efficient and fully differentiable framework for extended tight-binding
Marvin Friede, Christian Hölzer, Sebastian Ehlert, et al.
Journal of Chemical Theory and Computation
|
June 29, 2021
Robust and Efficient Implicit Solvation Model for Fast Semiempirical Methods
Sebastian Ehlert, Marcel Stahn, Sebastian Spicher, et al.
The Journal of Chemical Physics
|
April 9, 2022
Dispersion corrected r<sup>2</sup>SCAN based global hybrid functionals: r<sup>2</sup>SCANh, r<sup>2</sup>SCAN0, and r<sup>2</sup>SCAN50
Markus Bursch, Hagen Neugebauer, Sebastian Ehlert, et al.
Journal of Chemical Theory and Computation
|
November 13, 2023
Do Optimally Tuned Range-Separated Hybrid Functionals Require a Reparametrization of the Dispersion Correction? It Depends
Marvin Friede, Sebastian Ehlert, Stefan Grimme, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 16, 2020
Extension and evaluation of the D4 London-dispersion model for periodic systems
Eike Caldeweyher, Jan-Michael Mewes, Sebastian Ehlert, et al.
The Journal of Chemical Physics
|
February 16, 2021
r<sup>2</sup>SCAN-3c: A "Swiss army knife" composite electronic-structure method
Stefan Grimme, Andreas Hansen, Sebastian Ehlert, et al.
Physical Chemistry Chemical Physics : PCCP
|
June 28, 2023
ONIOM meets <b></b>: efficient, accurate, and robust multi-layer simulations across the periodic table
Christoph Plett, Abylay Katbashev, Sebastian Ehlert, et al.
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Search research articles
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Showing results (1-10 of 23) with videos related to
Sort By:
Page
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The Journal of Physical Chemistry. A
|
May 26, 2022
Conformational Energy Benchmark for Longer <i>n</i>-Alkane Chains
Sebastian Ehlert, Stefan Grimme, Andreas Hansen
The Journal of Physical Chemistry. A
|
August 11, 2023
Extended Conductor-like Polarizable Continuum Solvation Model (CPCM-X) for Semiempirical Methods
Marcel Stahn, Sebastian Ehlert, Stefan Grimme
Journal of Chemical Theory and Computation
|
February 12, 2019
GFN2-xTB-An Accurate and Broadly Parametrized Self-Consistent Tight-Binding Quantum Chemical Method with Multipole Electrostatics and Density-Dependent Dispersion Contributions
Christoph Bannwarth, Sebastian Ehlert, Stefan Grimme
The Journal of Chemical Physics
|
August 9, 2024
dxtb-An efficient and fully differentiable framework for extended tight-binding
Marvin Friede, Christian Hölzer, Sebastian Ehlert, et al.
Journal of Chemical Theory and Computation
|
June 29, 2021
Robust and Efficient Implicit Solvation Model for Fast Semiempirical Methods
Sebastian Ehlert, Marcel Stahn, Sebastian Spicher, et al.
The Journal of Chemical Physics
|
April 9, 2022
Dispersion corrected r<sup>2</sup>SCAN based global hybrid functionals: r<sup>2</sup>SCANh, r<sup>2</sup>SCAN0, and r<sup>2</sup>SCAN50
Markus Bursch, Hagen Neugebauer, Sebastian Ehlert, et al.
Journal of Chemical Theory and Computation
|
November 13, 2023
Do Optimally Tuned Range-Separated Hybrid Functionals Require a Reparametrization of the Dispersion Correction? It Depends
Marvin Friede, Sebastian Ehlert, Stefan Grimme, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 16, 2020
Extension and evaluation of the D4 London-dispersion model for periodic systems
Eike Caldeweyher, Jan-Michael Mewes, Sebastian Ehlert, et al.
The Journal of Chemical Physics
|
February 16, 2021
r<sup>2</sup>SCAN-3c: A "Swiss army knife" composite electronic-structure method
Stefan Grimme, Andreas Hansen, Sebastian Ehlert, et al.
Physical Chemistry Chemical Physics : PCCP
|
June 28, 2023
ONIOM meets <b></b>: efficient, accurate, and robust multi-layer simulations across the periodic table
Christoph Plett, Abylay Katbashev, Sebastian Ehlert, et al.
Page
of 3