Computational Chemistry Comparison and Benchmark Database
(100.0)
NIST database of small molecules with well established heat of formation, including results from many computational methods, including semiempirical and ab initio with various basis sets.
Contact Information
- Website:http://cccbdb.nist.gov/
In Catalogs
7,362 views174 readers today16 shares
Musharof Chy•02/21/2025•1 min read•Updated 12 months ago
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