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Theoretical and Computational Chemistry

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DFT-D4

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3 results in Keywords: DFT-D4

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

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Theoretical and Computational Chemistry

Benchmarking London dispersion corrected density functional theory for noncovalent ion-pi interactions

Sebastian Spicher, Eike Caldeweyher, Andreas Hansen, Stefan Grimme

Version 3 posted 03 May 2021

1,003

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Theoretical and Computational Chemistry

Extension and Evaluation of the D4 London Dispersion Model for Periodic Systems

Eike Caldeweyher, Jan-Michael Mewes, Sebastian Ehlert, Stefan Grimme

Version 1 posted 25 November 2019

1,052

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