1. Institute of Chemical Research of Catalonia
  2. Bo Research Group
  3. Cubic Keplerate

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Manuscript title: Thinking about the Box: Exploring the Electronic Structure of a Cuboidal-Shaped Mo84 Anionic Nanocapsule

Journal: Inorg. Chem.

DOI: 10.1021/acs.inorgchem.4c04497

Metadata:

Title: mo84_8h
Authors: Garay Ruiz, Diego
Keywords: Keplerate
Electronic structure
Inverse Keplerate
Polyoxometalates
Issue Date: 15-Oct-2024
Publisher: Institute of Chemical Research of Catalonia
Description: Geometry optimization of H8Mo84O188S48(AcO)24 ZORA/BP86/TZP
URI: https://iochem-bd.iciq.es/browse/handle/100/95291
Appears in Collections:Cubic Keplerate - DOI: 10.19061/iochem-bd-1-353

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