Data for: Prediction of Mechanical properties of grafted kaolinite - a DFT study

Name: Data for: Prediction of Mechanical properties of grafted kaolinite - a DFT study
Creator: Eva Scholtzova
Published: 2020-06-05T05:02:18.583Z
Keywords: Density Functional Theory

Scholtzova, Eva

doi:10.17632/7ygh4gp5hg.1

Data for: Prediction of Mechanical properties of grafted kaolinite - a DFT study

Published: 5 June 2020| Version 1 | DOI: 10.17632/7ygh4gp5hg.1

Contributor:

Eva Scholtzova

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Optimized coordinates of models. Used pseudopotentials: PAW_PBE H 15Jun2001, PAW_PBE C 08Apr2002, PAW_PBE O 08Apr2002, PAW_PBE Al 04Jan2001, PAW_PBE Si 05Jan2001

Data for: Prediction of Mechanical properties of grafted kaolinite - a DFT study

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