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• 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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• Organization: National Institute of Standards and Technology
• Dataset Last Updated: November 20, 2003

The purpose of this project is to improve the accuracy of statistical software by providing reference datasets with certified computational results that enable the objective evaluation of...

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