Benchmark Density Functional Theory Approach for the Calculation of Bond Dissociation Energies of the M–O(2) Bond: A Key Step in Water Splitting Reactions

[Image: see text] A very fascinating aspect in quantum chemical research is to determine the accurate and cost-effective methods for the calculation of electronic and structural properties through a benchmark study. The current study focuses on the performance evaluation of density functional theory...

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Detalles Bibliográficos
Autores principales: Kosar, Naveen, Ayub, Khurshid, Gilani, Mazhar Amjad, Muhammad, Shabbir, Mahmood, Tariq
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9348009/
https://www.ncbi.nlm.nih.gov/pubmed/35935283
http://dx.doi.org/10.1021/acsomega.2c01331

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9348009/
https://www.ncbi.nlm.nih.gov/pubmed/35935283
http://dx.doi.org/10.1021/acsomega.2c01331

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