Catalogs

• The VASTEL Database (last update 23. April 2024): PLEASEREADME. The ortho and para forms (and A/E forms) have been separated for each of the following species: H2D+, D2H+, NH3, H2O, NH2D, D2O, H2CO, H2-13CO, CH3OH, D2CO, H2C-18O, H2S, D2S, c-C3H2, CH3CCH, HCOOCH3, CH3CHO, CH3CN, H2CS, H2C34S, D2CS, CH2, NH3, NH2, 15NH2, H2CCO. The catdir.cat file for this database gives the function partitions for each species, and list the molecules with their associated tags. I adopted the same tag after separation than the original tag from JPL or CDMS, expect a 8 (para or E) or 9 (ortho or A) value in the penultimate number of the tag. For example, H2S can be found in both JPL (Tag=34002) and CDMS (Tag=34502) catalogs. After the ortho and para separation I get 4 files: 34082 (para-H2S, original data from JPL), 34092 (ortho-H2S, original data from JPL), 34582 (para-H2S, original data from CDMS), 34592 (ortho-H2S, original data from CDMS). All the files can be found in the Vastel database and in the table below depending on the version of the database you are using. If not yet in the database provided you can download the .cat files, and the catdir.cat files in the same directory. Then click on Database, Database creation, add database, Type=File, select folder when you downloaded your .cat file, JPL format, click on Correct elow with the min of elow (because the ortho and para of the same species do not have the same elow), Validate and Create and use database. Or simply just ask Charlotte Vastel to provide you an updated database.