A Density-Functional Benchmark of Vibrational Free-Energy Corrections for Molecular Crystal Polymorphism (Preprint)
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Date
2022-03-15Author
Weatherby, Joseph A.
Rumson, Adrian F.
Price, Alastair J. A.
Otero de la Roza, Alberto
Johnson, Erin R.
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Published Version: J. Chem. Phys. 156, 114108 (2022) https://doi.org/10.1063/5.0083082