return to home page Computational Chemistry Comparison and Benchmark DataBase Release 18 (October 2016) Standard Reference Database 101 National Institute of Standards and Technology
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List some species in the database

Enter Formula
or choose by chemical groups.

Rules for chemical formula

Species in the CCCBDB

A list of species that match the formula criteria is returned and one or more may be selected.

Going to the group selection page allows the selection of molecules with certain chemical groups, such as C=O bonds or NH2 groups. The group selection page also allows the selection of molecules containing a given atom, such as all species containing sulfur.