TY - DATA
T1 - Data underlying the publication: Global optimization of extraframework ensembles in zeolites: on the structure of extra-framework aluminum species in MOR and MFI zeolites.
PY - 2022/10/27
AU - Elena Khramenkova
AU - Harshini Venkatraman
AU - Victor Soethout
AU - Evgeny Pidko
UR - 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
DO - 10.4121/21400845.v1
KW - Zeolites
KW - Global Optimization
KW - Genetic Algorithm
KW - Extraframework Aluminum Species
N2 - <p>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.</p>
ER -