Work Description

Title: Quantum-Mechanical Determination of the Incorporation of Pentavalent Plutonium into Carbonate and Sulfate Minerals Open Access Deposited

http://creativecommons.org/licenses/by/4.0/
Attribute Value
Methodology
  • Data set was generated using Biovia Materials Studio 6.1 Service Pack 2 as described in the associated journal article.
Description
  • Files are uploaded as crystallographic information files (.cif), the standard text file format for representing crystallographic information. These files contain the optimized molecular models for pentavalent plutonium incorporation reactions into/onto barite, anglesite, celestine, anhydrite, aragonite, and calcite host minerals.
Creator
Depositor
  • bbge@umich.edu
Contact information
Discipline
Funding agency
  • Department of Energy (DOE)
Keyword
Citations to related material
  • Gebarski, B. B. and Becker, U. Quantum-Mechanical Determination of the Incorporation of Pentavalent Plutonium into Carbonate and Sulfate Minerals. (2019) Geochimica et Cosmochimica Acta.
Resource type
Last modified
  • 09/27/2019
Published
  • 09/27/2019
Language
DOI
License
To Cite this Work:
Gebarski, B., Becker, U. (2019). Quantum-Mechanical Determination of the Incorporation of Pentavalent Plutonium into Carbonate and Sulfate Minerals [Data set]. University of Michigan - Deep Blue. https://doi.org/10.7302/8xk2-jw66

Relationships

Files (Count: 56; Size: 379 KB)

Download All Files (To download individual files, select them in the “Files” panel above)

Best for data sets < 3 GB. Downloads all files plus metadata into a zip file.



Best for data sets > 3 GB. Globus is the platform Deep Blue Data uses to make large data sets available.   More about Globus