International Journal of Quantum Chemistry · 1983 · 38 citations · 17 references
Natural SciencesChemistryComputational ChemistryInorganic ChemistryQuantum ChemistryAb Initio MethodsComputational Quantum ChemistryDensity Functional TheoryElectronic StructureLanthanide ChemistryMagnetism Of Inorganic CompoundsElectronic Structure AnalysisLanthanide Electronic StructureMagneto-electronic StructureParamagnetic Nmr Spectroscopy
Abstract Expressions needed in INDO calculations for compounds containing 4 f elements were derived and an INDO program suitable for lanthanoid compounds was written and tested. Electronic structure of LnF 3 and paramagnetic shift of NMR spectra of LnF were studied.
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