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August 30, 2021Journal of Chemical Theory and Computation48 citationsOpen Access

Chemically Accurate Vibrational Free Energies of Adsorption from Density Functional Theory Molecular Dynamics: Alkanes in Zeolites

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DGDaria Ruth GalimbertiJSJoachim Sauer

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Galimberti et al. (2021) studied this question.

synapsesocial.com/papers/6a12c56c45487b7639a72213https://doi.org/10.1021/acs.jctc.1c00519
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