Research data supporting "Dynamic Diastereomerism on Chiral Surfaces"

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Authors
  Matysik, Sabine
Wales, David J
Jenkins, Stephen J
Publication Date
2023-01-10
Type
Dataset
Metadata
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Citation
Matysik, S., Wales, D. J., & Jenkins, S. J. (2023). Research data supporting "Dynamic Diastereomerism on Chiral Surfaces" [Dataset]. https://doi.org/10.17863/CAM.82942
Description
Molecular dynamics output files of S-alanine and R-alanine desorbing from Cu{531} or Cu{110} (indicated in the filename). Trajectories were calculated with CASTEP V.18.1
Format
CASTEP V.18.1 (proprietary)
Keywords
Adsorption, Chirality, Molecular dynamics, Surface Science
Relationships
Publication Reference: https://doi.org/10.1021/acs.jpcc.2c06351https://www.repository.cam.ac.uk/handle/1810/344674
Sponsorship
UKRI grant number 2112388
Funder references
EPSRC (2112388)
Identifiers
This record's DOI: https://doi.org/10.17863/CAM.82942
Rights
Attribution 4.0 International (CC BY 4.0)
Licence URL: https://creativecommons.org/licenses/by/4.0/
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Attribution 4.0 International (CC BY 4.0)
Except where otherwise noted, this item's licence is described as Attribution 4.0 International (CC BY 4.0)