Tools for Prescreening the Most Active Sites on Ir and Rh Clusters toward C-H Bond Cleavage of Ethane: NBO Charges and Wiberg Bond Indexes.

ACS Omega · 2019 · PMC6854828 · PMID 31737843

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closest p

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a clear trendno p-value reported

Figure 6 a–g shows a clear trend: The lower the WBI of the catalytic site, the lower the corresponding TS energy, and thus the more active the site.

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