Retraction Note: High throughput computations of the effective removal of liquified gases by novel perchlorate hybrid material
Résumé
Following publication, concerns were raised regarding inaccurate values presented in Tables 1, 2, 5 and 6. The Authors stated that they have made errors in this Article, including the conversion of units from eV to kcal/mol, thermodynamic calculations, calculation of the free energy correction term, and use of inaccurate units of the Boltzmann constant during the calculation of recovery time. Additionally, the Authors stated that most of the calculations in the Article are based on energies obtained using the M062x-D3/6-311++G(2df, 2pd) and DSD-PBEP86/aug-cc-pVDZ, and the generalisation that all calculations were done at the M062X-D3BJ/aug-ccpVTZ is not true.
Citer ce document
Exporter : BibTeX · RIS (Zotero, Mendeley, EndNote)
Accès au document
Texte intégral en lecture en ligne, réservé aux abonnés SPHAERO et aux membres de l'institution. Se connecter
Voir l'article sur le site de la revueLicence et provenance
Licence : CC BY
Notice moissonnée depuis OpenAlex le 29/09/2026. Le document reste hébergé par sa source.
Voir le document à la source →
Auteur(s)
Statistiques
Consultations : 1
Téléchargements : 0