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Theoretical and Computational Chemistry

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Working Paper

(3)

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Over 3 years

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London dispersion interactions

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3 results in Keywords: London dispersion interactions

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

1,173

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Theoretical and Computational Chemistry

DFT-D4 Counterparts of Leading Meta-GGA and Hybrid Density Functionals for Energetics and Geometries

Asim Najibi, LARS GOERIGK

Version 2 posted 11 August 2020

1,498

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Theoretical and Computational Chemistry

Balancing DFT Interaction Energies in Charged Dimers Precursors to Organic Semiconductors

Alberto Fabrizio, Riccardo Petraglia, Clemence Corminboeuf

Version 1 posted 11 December 2019

591

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