Quantifying the Uncertainty of Force Field Selection on Adsorption Predictions in MOFs.

J Chem Theory Comput · 2024 · PMC11171284 · PMID 38818701

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closest p

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boldest claim

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quite significantno p-value reported

As we can see, the differences are quite significant, and all the alternative parameter assignments lead to a substantial underestimation of the experimental isotherm.

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