Browsing by Subject "Basis-sets"
Now showing items 1-2 of 2
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(American Chemical Society, 2020)To study how second-sphere interactions affect single-molecule magnet (SMM) properties of mononuclear lanthanide systems, two dysprosium(III) complexes [Dy(N-NCS)(3)(H2O)(5)]center dot 0.45(KSCN)(18-crown-6) (1) and ...
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(Royal Society of Chemistry, 2020)The current figure of merit to evaluate Single Molecule Magnet (SMM) performance is the blocking temperature (T-B). The best SMMs showT(B)values close to liquid nitrogen boiling point (77 K) while their Orbach effective ...