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Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
April 11, 2018
Simplified DFT methods for consistent structures and energies of large systems
Eike Caldeweyher, Jan Gerit Brandenburg
Scientific Reports
|
March 14, 2023
Fast calculation of hydrogen-bond strengths and free energy of hydration of small molecules
Gian Marco Ghiandoni, Eike Caldeweyher
The Journal of Chemical Physics
|
July 24, 2017
Extension of the D3 dispersion coefficient model
Eike Caldeweyher, Christoph Bannwarth, Stefan Grimme
Physical Chemistry Chemical Physics : PCCP
|
June 1, 2016
Screened exchange hybrid density functional for accurate and efficient structures and interaction energies
Jan Gerit Brandenburg, Eike Caldeweyher, Stefan Grimme
Physical Chemistry Chemical Physics : PCCP
|
April 21, 2022
An open-source framework for fast-yet-accurate calculation of quantum mechanical features
Eike Caldeweyher, Christoph Bauer, Ali Soltani Tehrani
Physical Chemistry Chemical Physics : PCCP
|
May 12, 2021
Benchmarking London dispersion corrected density functional theory for noncovalent ion-π interactions
Sebastian Spicher, Eike Caldeweyher, Andreas Hansen, 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
|
November 4, 2017
A general intermolecular force field based on tight-binding quantum chemical calculations
Stefan Grimme, Christoph Bannwarth, Eike Caldeweyher, et al.
Journal of Cheminformatics
|
December 8, 2025
SMARTS-RX: a SMARTS-based representation of chemical functions for reactivity analysis
Thierry Kogej, Christos Kannas, Samuel Genheden, et al.
Accounts of Chemical Research
|
December 27, 2018
Understanding and Quantifying London Dispersion Effects in Organometallic Complexes
Markus Bursch, Eike Caldeweyher, Andreas Hansen, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 13) with videos related to
Sort By:
Page
of 2
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
April 11, 2018
Simplified DFT methods for consistent structures and energies of large systems
Eike Caldeweyher, Jan Gerit Brandenburg
Scientific Reports
|
March 14, 2023
Fast calculation of hydrogen-bond strengths and free energy of hydration of small molecules
Gian Marco Ghiandoni, Eike Caldeweyher
The Journal of Chemical Physics
|
July 24, 2017
Extension of the D3 dispersion coefficient model
Eike Caldeweyher, Christoph Bannwarth, Stefan Grimme
Physical Chemistry Chemical Physics : PCCP
|
June 1, 2016
Screened exchange hybrid density functional for accurate and efficient structures and interaction energies
Jan Gerit Brandenburg, Eike Caldeweyher, Stefan Grimme
Physical Chemistry Chemical Physics : PCCP
|
April 21, 2022
An open-source framework for fast-yet-accurate calculation of quantum mechanical features
Eike Caldeweyher, Christoph Bauer, Ali Soltani Tehrani
Physical Chemistry Chemical Physics : PCCP
|
May 12, 2021
Benchmarking London dispersion corrected density functional theory for noncovalent ion-π interactions
Sebastian Spicher, Eike Caldeweyher, Andreas Hansen, 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
|
November 4, 2017
A general intermolecular force field based on tight-binding quantum chemical calculations
Stefan Grimme, Christoph Bannwarth, Eike Caldeweyher, et al.
Journal of Cheminformatics
|
December 8, 2025
SMARTS-RX: a SMARTS-based representation of chemical functions for reactivity analysis
Thierry Kogej, Christos Kannas, Samuel Genheden, et al.
Accounts of Chemical Research
|
December 27, 2018
Understanding and Quantifying London Dispersion Effects in Organometallic Complexes
Markus Bursch, Eike Caldeweyher, Andreas Hansen, et al.
Page
of 2