This repository contains the optimised structures (VASP CONTCAR files) for the full set of 3d, 4d, and 5d transition metal atoms encapsulated on MFI-type Silicalite-1 zeolite, used in my research work entitled "Transition Metal Atoms Encapsulated within Microporous Silicalite-1 Zeolite: A Systematic Computational Study"
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This repository contains the optimised structures (VASP CONTCAR files) for the full set of 3d, 4d, and 5d transition metal atoms encapsulated on MFI-type Silicalite-1 zeolite, used in my research work entitled "Transition Metal Atoms Encapsulated within Silicalite-1 MFI: A Systematic Computational Study"
hprats/Transition-metal-atoms-encapsulated-on-Silicalite-1
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This repository contains the optimised structures (VASP CONTCAR files) for the full set of 3d, 4d, and 5d transition metal atoms encapsulated on MFI-type Silicalite-1 zeolite, used in my research work entitled "Transition Metal Atoms Encapsulated within Silicalite-1 MFI: A Systematic Computational Study"
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