Browsing by Subject "Basissets"
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(Royal Soc. Chemistry, 2020)A family of hexaazamacrocyclic lanthanide complexes, [Ln(L-n)(NCS)(3)] (Ln(III) = Dy, Er; n = 1-3) has been synthesized and characterized by single-crystal X-ray diffraction, magnetic measurements and ab initio calculations. ...