This is data for:
Huanchen Zhai, Philippe Sautet, Anastassia N. Alexandrova. "Global optimization of adsorbate covered supported cluster catalysts: the case of Pt7H10CH3 on alpha-Al2O3." ChemCatChem 2020, 12 762-770.
Huanchen Zhai, Anastassia N. Alexandrova. "Local fluxionality of surface-deposited cluster catalysts: The case of Pt7 on Al2O3." The Journal of Physical Chemistry Letters 2018, 9 1696-1702.
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Code: PGOPT
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Pt7H10CH3BasinHopping
Local minima of alpha alumina supported Pt7H10(CH3) cluster from Basin Hopping. Low energy cutoff.
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Pt7H10CH3Final
Local minima of alpha alumina supported Pt7H10(CH3) cluster. Reoptimized with high energy cutoff.
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Pt7Alpha
Local minima and transition states of alpha alumina supported Pt7 cluster.