Zr6-cluster

A set of geometries exploring the behavior of a Zr cluster loosing water molecules.

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The original dataset source can be reviewed here
Please use this identifier to cite or link to this collection:doi:10.19061/iochem-bd-6-302

This dataset derived results are published in:

Manuscript title: Zr-Based MOF-545 Metal–Organic Framework Loaded with Highly Dispersed Small Size Ni Nanoparticles for CO2 Methanation

Journal: ACS Appl. Mater. Interfaces

DOI: 10.1021/acsami.3c18154

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