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

Published: 05-06-2020| Version 1 | DOI: 10.17632/7ygh4gp5hg.1
Contributor:
Eva Scholtzova

Description

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

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