The prediction of topological preferences and polymorph stability remains a challenge for the design of metal–organic frameworks exhibiting a rich topological landscape, such as zeolitic imidazolate f
The adsorption of H2 in ZIF-76, a zeolitic imidazolate framework (ZIF) with lta topology, was investigated in a combined experimental and theoretical study. Each Zn2+ ion in the structure of this ZIF
The research objective of this dataset is to compute and analyze the piezoelectric properties of a specific class of Metal-Organic Frameworks i.e, Zeolitic Imidazalote Frameworks (ZIFs). All the calcu
Flexible Zeolitic Imidazolate Frameworks (ZIF) are unique in a sense that their pore aperture can be regulated using the applied gas pressure. Utilizing this phenomenon, a single ZIF can be used selec
Context and Methodology This dataset contains the underlying experimental data supporting the results reported in the research article published in DOI: 10.1002/smll.202307981....