Data Catalog

• Federal

  DFT Benchmarking

  National Institute of Standards and Technology —

  All the data in this project are generated running Density Functional (DFT) simulation either on NIST computer clusters of through our collaborators at University of...

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  • 3 more in dataset
• Federal

  Catalyst Design in Nitrate Removal

  Department of Energy —

  Based on the volcano plot developed by Dr. Goldsmith group (Report linked in submission), we utilized DFT (density functional theory) calculations to search for...

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  • 9b02179
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  • 1 more in dataset
• Federal

  SQLite database with the results of quantum-chemical calculations for 20 cannabinoids and cannabinoid-related compounds

  National Institute of Standards and Technology —

  The data set contains the data for 20 cannabinoids and cannabinoid-related compounds computed with quantum-chemical methods. This includes the optimized geometries...

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• Federal

  Data for "Targeted Chemical Pressure Yields Tunable Millimeter-Wave Dielectric "

  National Institute of Standards and Technology —

  Included here are figures and other relevant data from the paper "Targeted Chemical Pressure Yields Tunable Millimeter-Wave 5G Dielectric with Unparalleled...

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  • CIF
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  • 7 more in dataset

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