Search

Categories

Chemical Education

(1)

Theoretical and Computational Chemistry

(4)

Content Types

Review

(1)

Working Paper

(3)

Published Date

Last 3 years

(4)

Keywords

Authors

Markus Bursch

4 results in Authors: Markus Bursch

Theoretical and Computational Chemistry

Dispersion-corrected r²SCAN based double-hybrid functionals

Lukas Wittmann, Hagen Neugebauer, Stefan Grimme, Markus Bursch

Version 1 posted 05 September 2023

379

Downloads

Theoretical and Computational Chemistry

Dispersion Corrected r2SCAN Based Global Hybrid Functionals: r2SCANh, r2SCAN0, and r2SCAN50

Markus Bursch, Hagen Neugebauer, Sebastian Ehlert, Stefan Grimme

Version 2 posted 21 January 2022

874

Downloads

Theoretical and Computational Chemistry

Best Practice DFT Protocols for Basic Molecular Computational Chemistry

Markus Bursch, Jan-Michael Mewes, Andreas Hansen, Stefan Grimme

Version 2 posted 28 June 2022

8,610

Downloads

3

Citations

Theoretical and Computational Chemistry

Assessment of DLPNO-MP2 Approximations in Double-Hybrid DFT

Hagen Neugebauer, Peter Pinski, Stefan Grimme, Frank Neese, Markus Bursch

Version 1 posted 16 August 2023

428

Downloads