Hirshfeld Atom Refinement of Metal-Organic Complexes: Treatment of Hydrogen Atoms Bonded to Transition Metals.

J Phys Chem A · 2023 · PMC10084459 · PMID 36947670

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closest p

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a clear trendno p-value reported

The ranking revealed a clear trend for HAR: with increasing the data and refinement quality (increasing the position in the data-refinement quality X-ray–neutron ranking), the agreement of both TM–H and X–H bond lengths from HAR with the neutron diffraction data also increased.

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