Molecular Dynamics of Artificially Pair-Decoupled Systems: An Accurate Tool for Investigating the Importance of Intramolecular Couplings.

J Chem Theory Comput · 2023 · PMC10536992 · PMID 37698951

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closest p

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boldest claim

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quite significantno p-value reported

Both spectra are recorded after 0.5 ps of decorrelation time, and both spectra show that the decoupling effect is quite significant in terms of vibrational energy redistribution.

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