La3N@C92: An Endohedral Metallofullerene Governed by Kinetic Factors?

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This dataset derived results are published in:

Manuscript title: La3N@C92: An Endohedral Metallofullerene Governed by Kinetic Factors?

Journal: Inorg. Chem.

DOI: 10.1021/acs.inorgchem.5b02414

PreviewTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetLinksEnergySolv.Vibr.Orb.
thumbnail.jpegIPR_86Poblet, Josep M.ADF; 2012; 01Geometry optimizationDFTTZP-30.76455501; Eh
thumbnail.jpegIPR_44Poblet, Josep M.ADF; 2012; 01Geometry optimizationDFTTZP-30.79038824; Eh
thumbnail.jpegIPR_36Poblet, Josep M.ADF; 2012; 01Geometry optimizationDFTTZP-30.80487066; Eh
thumbnail.jpegAPP3_103648Poblet, Josep M.ADF; 2012; 01Geometry optimizationDFTTZP-30.73850182; Eh
thumbnail.jpegAPP2_124337Poblet, Josep M.ADF; 2012; 01Geometry optimizationDFTTZP-30.77043136; Eh
thumbnail.jpegAPP2_iso103054Poblet, Josep M.ADF; 2012; 01Geometry optimizationDFTTZP-30.74072567; Eh
thumbnail.jpegAPP1_iso124451Poblet, Josep M.ADF; 2012; 01Geometry optimizationDFTTZP-30.77686954; Eh
thumbnail.jpegAPP1_iso116584Poblet, Josep M.ADF; 2012; 01Geometry optimizationDFTTZP-30.77861309; Eh
thumbnail.jpegAPP1_iso103625Poblet, Josep M.ADF; 2012; 01Geometry optimizationDFTTZP-30.78559129; Eh
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