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periodic

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3 results in Keywords: periodic

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

1,054

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Materials Science

Van Der Waals Epitaxy of Soft Twisted Bilayers: Lattice Relaxation and Static Distortion Waves

Cong Jin, Brian Olsen, Erik Luber, Jillian Buriak

Version 1 posted 28 May 2020

622

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Theoretical and Computational Chemistry

Electron/Hole Mobilities of Periodic DNA and Nucleobase Structures from Large-Scale DFT Calculations

Hyuna Kwon, Anshuman Kumar, Mauro Del Ben, Bryan Wong

Version 1 posted 23 May 2023

187

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