Hierarchical self-assembly of polyoxometalate-based hybrids driven by metal coordination and electrostatic interactions: from discrete supramolecular species to dense monodisperse nanoparticles.

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Please use this identifier to cite or link to this collection: doi:10.19061/iochem-bd-1-5

This dataset derived results are published in:

Manuscript title: Hierarchical Self-Assembly of Polyoxometalate-Based Hybrids Driven by Metal Coordination and Electrostatic Interactions: From Discrete Supramolecular Species to Dense Monodisperse Nanoparticles

Journal: J. Am. Chem. Soc.

DOI: 10.1021/jacs.6b00972

PreviewTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetLinksEnergySolv.Vibr.Orb.
thumbnail.jpegStructure_of_the_molecular_triangle_2_(ONIOM)-Gaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumONIOM; BP86; PM66-311G(d,p); LANL2DZ-17.6018727927; Eh
thumbnail.jpegStructure_of_the_molecular_square-ADF; 2014Single pointDFTTZP-
thumbnail.jpegStructure_of_the_molecular_triangle-ADF; 2014Single pointDFTTZP; DZ-
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