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Please use this identifier to cite or link to this collection: DOI: 10.19061/iochem-bd-1-100

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Collection's Items (Sorted by Submit Date in Descending order): 1 to 2 of 2
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required17-Sep-2018/NiO-AFM U5López, Núriavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complexGeometry optimizationDFT--405.56484929; eV
Login required17-Sep-2018/NiO-FM U5López, Núriavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complexGeometry optimizationDFT--403.98066210; eV
Collection's Items (Sorted by Submit Date in Descending order): 1 to 2 of 2
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