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Computational Chemistry Comparison and Benchmark Database
URL: http://srdata.nist.gov/cccbdb/Default.htm
Submitted: Sat Sep 06 2003
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CT: Science: Chemistry: Computational: Computational Chemistry Comparison and Benchmark Database
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Description:
Database of molecules with well established heat of formation, no atoms with atomic number greater than 17 (Chlorine,) and six or fewer heavy atoms and twenty or fewer total atoms.