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DFT data to relate calculated LUMO energy with experimental reduction potentials of Cu(II)-ß-diketonato complexes.
Conradie, Marrigje M; Langner, Ernst H G; Conradie, Jeanet.
Affiliation
  • Conradie MM; Department of Chemistry, Faculty of Natural and Agricultural Sciences, PO Box 339, University of the Free State, Bloemfontein, 9300, South Africa.
  • Langner EHG; Department of Chemistry, Faculty of Natural and Agricultural Sciences, PO Box 339, University of the Free State, Bloemfontein, 9300, South Africa.
  • Conradie J; Department of Chemistry, Faculty of Natural and Agricultural Sciences, PO Box 339, University of the Free State, Bloemfontein, 9300, South Africa.
Data Brief ; 38: 107331, 2021 Oct.
Article in En | MEDLINE | ID: mdl-34504917
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Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: Data Brief Year: 2021 Document type: Article Affiliation country: South Africa Country of publication: Netherlands
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Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: Data Brief Year: 2021 Document type: Article Affiliation country: South Africa Country of publication: Netherlands