Retraction of: Scientific Reports https://doi.org/10.1038/s41598-023-38091-z, published online 05 July 2023
The Editors have retracted this Article.
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.
The Editors therefore no longer have confidence in the presented results.
Tomsmith O. Unimuke, Onyinye J. Ikenyirimba, and Adedapo S. Adeyinka agree to the retraction and its wording. Hitler Louis, Gideon E. Mathias, and Chérif Ben Nasr have not responded to the Editors about this retraction.
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Unimuke, T.O., Louis, H., Ikenyirimba, O.J. et al. Retraction Note: High throughput computations of the effective removal of liquified gases by novel perchlorate hybrid material. Sci Rep 15, 35761 (2025). https://doi.org/10.1038/s41598-025-23572-0
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DOI: https://doi.org/10.1038/s41598-025-23572-0
