return to home page Computational Chemistry Comparison and Benchmark DataBase Release 18 (October 2016) Standard Reference Database 101 National Institute of Standards and Technology
You are here: Resources > Info on Results > Calculations Done > One molecule

Calculations completed for a given species

Select species by entering formula

This will return a page with an entry for each calculated energy in the CCCBDB.

Rules for chemical formula

Species in the CCCBDB