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A density-functional benchmark of vibrational free-energy corrections for molecular crystal polymorphism

dc.contributor.authorWeatherby, J. A.
dc.contributor.authorRumson, A. F.
dc.contributor.authorPrice, A. J. A.
dc.contributor.authorOtero de la Roza, Alberto 
dc.contributor.authorJohnson, E. R.
dc.date.accessioned2022-11-08T12:42:23Z
dc.date.available2022-11-08T12:42:23Z
dc.date.issued2022
dc.identifier.citationJournal of Chemical Physics, 156(11) (2022); doi:10.1063/5.0083082
dc.identifier.issn0021-9606
dc.identifier.urihttp://hdl.handle.net/10651/65307
dc.description.sponsorshipNatural Sciences and Engineering Research Council of Canada (NSERC); Government of Nova Scotia; Spanish Ministerio de Ciencia e Innovación; Agencia Estatal de Investigación (AEI) [PGC2018-097520-A-100]; Principality of Asturias (FICYT); FEDER [AYUD/2021/51036]; Spanish MINECO [RyC-2016-20301]
dc.language.isoeng
dc.relation.ispartofJournal of Chemical Physics
dc.rights© 2022 Los autores. Publicado bajo licencia exclusiva por AIP Publishing
dc.sourceScopus
dc.source.urihttps://www.scopus.com/inward/record.uri?eid=2-s2.0-85126854905&doi=10.1063%2f5.0083082&partnerID=40&md5=08929bd0b046bd80a8844998174660f3
dc.titleA density-functional benchmark of vibrational free-energy corrections for molecular crystal polymorphism
dc.typejournal article
dc.identifier.doi10.1063/5.0083082
dc.relation.projectIDMICINN/AEI/PGC2018-097520-A-100
dc.relation.projectIDFICYT/FEDER/AYUD/2021/51036
dc.relation.projectIDMINECO/Ramón y Cajal/RyC-2016-20301
dc.relation.publisherversionhttp://dx.doi.org/10.1063/5.0083082


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