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Computational Chemistry Comparison and Benchmark Database

  Link Details for: Computational Chemistry Comparison and Benchmark Database
Link Title: Computational Chemistry Comparison and Benchmark Database Open in a new window
Link URL: http://srdata.nist.gov/cccbdb/
Link Details: Compares experimental properties of small gas phase molecules with properties computed using a variety of ab initio methods.
Category: Top : Science : Chemistry : Computational : Electronic_Structure
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Computational Chemistry Comparison and Benchmark Database