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Theoretical and Computational Chemistry

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DFT-D

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3 results in Keywords: DFT-D

Theoretical and Computational Chemistry

Non-Covalent Interactions Atlas Benchmark Data Sets 2: Hydrogen Bonding in an Extended Chemical Space

Version 1 posted 06 July 2020

651

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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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Theoretical and Computational Chemistry

Non-Covalent Interactions Atlas Benchmark Data Sets 5: London Dispersion in an Extended Chemical Space

Version 1 posted 12 January 2022

453

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