• Organization: National Institute of Standards and Technology
• Updated: 2004-12-01 00:00:00

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...

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• Organization: National Institute of Standards and Technology
• Updated: 2016-10-01 00:00:00

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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