Task Group on Atmospheric Chemical Kinetic Data Evaluation
Please note that only names housed in our database will be found with the "Name or Formula" search
Formulae will be searched for, intitially as written (e.g. CH3C(O)OH) but, then if no exact match
is found, the search will continue with the concise formula (in this case C2H4O2). In the latter case,
more than one compound might be matched.
A SMILES search will give an exact match
to the canonical version of the SMILES string that is given. A search on SMILES substrings (i.e. SMARTS)
will be provided later for functional group searching
The InChI is a unique chemical identifier. Most species
in our database have an InChI. However, there is currently no InChI representation of excited states.