https://www.selleckchem.com/products/LBH-589.html
Functionals with a large amount of Hartree-Fock exchange such as CAM-QTP-02 and ωB97X-D are generally favorable. The pure density functional r2SCAN performs remarkably and even outperforms the common hybrid functionals TPSSh and CAM-B3LYP. Fully uncontracted basis sets or contracted quadruple-ζ bases are required for accurate results. The capability of our implementation is demonstrated for [Pt(C6Cl5)4]- with more than 4700 primitive basis functions and four rare-earth single-molecule magnets [La(OAr*)3]-, [Lu(NR2)3]-, [Lu(OAr*)3]-, and
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