Density functional theory calculated data of the iodomethane oxidative addition to oligothiophene-containing rhodium complexes – Importance of dispersion correction

Electronic and free energy data of density functional theory calculated optimized geometries of the reactants, transition state of the oxidative addition reaction and different reaction products of the [Rh(RCOCHCOCF(3))(CO)(PPh(3))] + CH(3)I reactions (R = C(4)H(3)S, C(4)H(3)S-C(4)H(2)S and C(4)H(3)...

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Detalles Bibliográficos
Autores principales: Mateyise, Nandisiwe Ghandi Sibongile, Conradie, Jeanet, Conradie, Marrigje M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2021
Materias:
Data Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7973308/
https://www.ncbi.nlm.nih.gov/pubmed/33763509
http://dx.doi.org/10.1016/j.dib.2021.106929

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7973308/
https://www.ncbi.nlm.nih.gov/pubmed/33763509
http://dx.doi.org/10.1016/j.dib.2021.106929

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