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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

Keywords

Citation

Published Version: J. Chem. Phys. 156, 114108 (2022) https://doi.org/10.1063/5.0083082

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