Search research articles
Contact Us
Filters
Showing results (1-10 of 14) with videos related to
Page
of 2
Sort By:
Angewandte Chemie (International Ed. in English)
|
May 30, 2019
Structure Optimisation of Large Transition-Metal Complexes with Extended Tight-Binding Methods
Markus Bursch, Hagen Neugebauer, Stefan Grimme
The Journal of Chemical Physics
|
December 8, 2023
Dispersion-corrected r2SCAN based double-hybrid functionals
Lukas Wittmann, Hagen Neugebauer, Stefan Grimme, 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
|
October 20, 2023
Assessment of DLPNO-MP2 Approximations in Double-Hybrid DFT
Hagen Neugebauer, Peter Pinski, Stefan Grimme, et al.
Journal of Computational Chemistry
|
July 4, 2023
High-throughput screening of spin states for transition metal complexes with spin-polarized extended tight-binding methods
Hagen Neugebauer, Benedikt Bädorf, Sebastian Ehlert, et al.
The Journal of Physical Chemistry. A
|
August 14, 2020
Benchmark Study of Electrochemical Redox Potentials Calculated with Semiempirical and DFT Methods
Hagen Neugebauer, Fabian Bohle, Markus Bursch, et al.
Journal of Chemical Theory and Computation
|
March 26, 2026
ORCA Meets Python─The ORCA Python Interface OPI
Tim Tetenberg, Hagen Neugebauer, Christoph Plett, 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.
Journal of the American Chemical Society
|
July 8, 2024
Pushing the Limits of Organometallic Redox Chemistry with an Isolable Mn(-I) Dianion
Ageliki Karagiannis, Hagen Neugebauer, Roger A Lalancette, et al.
The Journal of Chemical Physics
|
April 22, 2019
A generally applicable atomic-charge dependent London dispersion correction
Eike Caldeweyher, Sebastian Ehlert, Andreas Hansen, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 14) with videos related to
Sort By:
Page
of 2
Angewandte Chemie (International Ed. in English)
|
May 30, 2019
Structure Optimisation of Large Transition-Metal Complexes with Extended Tight-Binding Methods
Markus Bursch, Hagen Neugebauer, Stefan Grimme
The Journal of Chemical Physics
|
December 8, 2023
Dispersion-corrected r2SCAN based double-hybrid functionals
Lukas Wittmann, Hagen Neugebauer, Stefan Grimme, 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
|
October 20, 2023
Assessment of DLPNO-MP2 Approximations in Double-Hybrid DFT
Hagen Neugebauer, Peter Pinski, Stefan Grimme, et al.
Journal of Computational Chemistry
|
July 4, 2023
High-throughput screening of spin states for transition metal complexes with spin-polarized extended tight-binding methods
Hagen Neugebauer, Benedikt Bädorf, Sebastian Ehlert, et al.
The Journal of Physical Chemistry. A
|
August 14, 2020
Benchmark Study of Electrochemical Redox Potentials Calculated with Semiempirical and DFT Methods
Hagen Neugebauer, Fabian Bohle, Markus Bursch, et al.
Journal of Chemical Theory and Computation
|
March 26, 2026
ORCA Meets Python─The ORCA Python Interface OPI
Tim Tetenberg, Hagen Neugebauer, Christoph Plett, 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.
Journal of the American Chemical Society
|
July 8, 2024
Pushing the Limits of Organometallic Redox Chemistry with an Isolable Mn(-I) Dianion
Ageliki Karagiannis, Hagen Neugebauer, Roger A Lalancette, et al.
The Journal of Chemical Physics
|
April 22, 2019
A generally applicable atomic-charge dependent London dispersion correction
Eike Caldeweyher, Sebastian Ehlert, Andreas Hansen, et al.
Page
of 2