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#1 Federal
NIST Computational Chemistry Comparison and Benchmark Database - SRD 101
- Organization: National Institute of Standards and Technology
- Dataset Last Updated: October 01, 2016
The NIST Computational Chemistry Comparison and Benchmark Database is a collection of experimental and ab initio thermochemical properties for a selected set of gas-phase molecules. The goals are...
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Search relevance: 1.00 | Views last month: 23 | Catalog Last Checked: August 03, 2026 at 03:49 AM
#2 Federal
Supplementary data and representative scripts for multiscale modeling of NMR spectroscopy in aqueous alkali fluoride solutions
- Organization: National Institute of Standards and Technology
- Dataset Last Updated: June 11, 2025
This data publication provides raw data, processed data, dataframes, and representative scripts to support our recent work on NMR spectroscopy of aqueous alkali fluoride solutions. The repository...
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Search relevance: 1.00 | Views last month: 0 | Catalog Last Checked: September 02, 2026 at 07:18 PM

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