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1 database found for vibrational scaling factor.
glass ball SRD 101 NIST Computational Chemistry Comparison and Benchmark Database (Web, free access)  Keywords for Database
The NIST Computational Chemistry Comparison and Benchmark Database is a collection of experimental and ab initio thermochemical properties for a selected set of molecules. The goals are to provide a benchmark set of molecules for the evaluation of ab initio computational methods and allow the comparison between different ab initio computational methods for the prediction of thermochemical properties.


Last modified: November 6, 2008 (Created: November 9, 2001)
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