A Density-Functional Benchmark of Vibrational Free-Energy Corrections for Molecular Crystal Polymorphism (Preprint)
dc.contributor.author | Weatherby, Joseph A. | |
dc.contributor.author | Rumson, Adrian F. | |
dc.contributor.author | Price, Alastair J. A. | |
dc.contributor.author | Otero de la Roza, Alberto | |
dc.contributor.author | Johnson, Erin R. | |
dc.date.accessioned | 2023-05-26T13:10:57Z | |
dc.date.available | 2023-05-26T13:10:57Z | |
dc.date.issued | 2022-03-15 | |
dc.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 | en_US |
dc.identifier.citation | Published Version: J. Chem. Phys. 156, 114108 (2022) https://doi.org/10.1063/5.0083082 | en_US |
dc.identifier.uri | http://hdl.handle.net/10222/82598 | |
dc.publisher | American Institute of Physics | en_US |
dc.relation.ispartof | The Journal of Chemical Physics | en_US |
dc.title | A Density-Functional Benchmark of Vibrational Free-Energy Corrections for Molecular Crystal Polymorphism (Preprint) | en_US |
dc.type | Article | en_US |