%0 Generic %A Khramenkova, Elena %A Venkatraman, Harshini %A Soethout, Victor %A Pidko, Evgeny %D 2022 %T Data underlying the publication: Global optimization of extraframework ensembles in zeolites: on the structure of extra-framework aluminum species in MOR and MFI zeolites. %U https://data.4tu.nl/articles/dataset/Data_underlying_the_publication_Global_optimization_of_extraframework_ensembles_in_zeolites_on_the_structure_of_extra-framework_aluminum_species_in_MOR_and_MFI_zeolites_/21400845/1 %R 10.4121/21400845.v1 %K Zeolites %K Global Optimization %K Genetic Algorithm %K Extraframework Aluminum Species %X

This dataset contains detailed information on the structures studied in the following paper: "Global optimization of extraframework ensembles in zeolites: on the structure of extra-framework aluminium species in MOR and MFI zeolites". Our data include the computational results of the genetic algorithm runs conducted for each configuration and figures presented in the manuscript.

%I 4TU.ResearchData