Nucleation Mechanisms and Speciation of Metal Oxide Clusters
In the present collection there are 5 subfolders where the molybdenum oxoclusters have been computed using different DFT functionals.
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This dataset derived results are published in:
Manuscript title: Nucleation Mechanisms and Speciation of Metal Oxide Clusters
Journal: Chem. Sci.
- 177 TZP
- 177 ADF