Defect Formation, T-Atom Substitution and Adsorption of Guest Molecules in MSE-Type Zeolite Framework—DFT Modeling

Petko St. Petkov(Sofia University "St. Kliment Ohridski"), Georgi N. Vayssilov(Sofia University "St. Kliment Ohridski"), Iskra Z. Koleva(Sofia University "St. Kliment Ohridski"), Hristiyan A. Aleksandrov(Sofia University "St. Kliment Ohridski"), Kristina B. Simeonova(Sofia University "St. Kliment Ohridski"), Satoshi Inagaki(Yokohama National University), Yoshihiro Kubota(Yokohama National University), Valentin Valtchev(Centre National de la Recherche Scientifique)
Molecules
December 1, 2021
Cited by 9


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