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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...
Search relevance: 1.00 | Views last month: 7 | Catalog Last Checked: August 02, 2025 at 01:26 PM -
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...
Search relevance: 1.00 | Views last month: 1 | Catalog Last Checked: August 02, 2025 at 01:33 PM