Electron correlation or basis set quality: how to obtain converged and accurate nmr shieldings for the third-row elements?

HIGHLIGHTS

• who: Kacper Rzepiela and collaborators from the Faculty of Chemistry, University of Opole, Oleska Street, Opole, Poland have published the research work: Electron Correlation or Basis Set Quality: How to Obtain Converged and Accurate NMR Shieldings for the Third-Row Elements?, in the Journal: Molecules 2022, 8230 of /2022/
• what: Not much information is available on the basis set effect on theoretical of the NMR-active nuclei of the Here the authors report on the importance of proper basis set selection to obtain accurate and reliable shielding parameters for nuclei from the of the periodic . . .
  

   

  

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