Found 2 datasets matching filters.
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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 | Published on: 2025-08-02 -
This data collection contains 5,228 infrared spectra of different compounds along with chemical structures for most of them. Spectra are provided on a CD-ROM in the JCAMP-DX (Joint Committee for...
Search relevance: 1.00 | Views last month: 0 | Published on: 2025-08-02
