Best database to use for different species

This table (PDF) indicates which database is recommended for each species. It also summarizes the validity of the predictions and some other useful information for using the data. The table has not been updated recently. Please send feedback to Adam Walters if you would like changes regarding molecules or information to be included.

The table:

  • Lists the molecules detected in the interstellar and circumstellar media and indicates if their spectra can be accessed in one of the public spectroscopy databases (or if not in a publication). Isotopologues and excited states of indentified molecules are also included.
  • Suggests the best database to be used if a molecule is included in more than one.
  • Indicates the frequency and quantum number range for which predictions are reliable.
  • Summarizes other essential information needed to use a database entry. For example in CDMS (tag 69505) n-C3H7CN, the quantum numbers are given as J, Ka, Kc, ident where ident is used to show which conformer. Ident=0 is anti and ident=1 is gauche. This is not obvious from the entry alone.