A Density-Functional Benchmark of Vibrational Free-Energy Corrections for Molecular Crystal Polymorphism (Preprint)
Date
2022-03-15
Authors
Weatherby, Joseph A.
Rumson, Adrian F.
Price, Alastair J. A.
Otero de la Roza, Alberto
Johnson, Erin R.
Journal Title
Journal ISSN
Volume Title
Publisher
American Institute of Physics
Abstract
Description
This document is the unedited Author's version of a Submitted Work that was subsequently accepted for publication in the Journal of Chemical Physics, copyright © American Institute of Physics after peer review. To access the final edited and published work see https://doi.org/10.1063/5.0083082
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Citation
Published Version: J. Chem. Phys. 156, 114108 (2022) https://doi.org/10.1063/5.0083082