Versions of the theoretical and experimental databases

Theoretical Database

  Version Description Date Species
2.00 Final and complete version 2.00 computational database 10/29/2013 700
1.32 Complete theoretical database 06/ 1/2013 659
1.20 Complete theoretical database 01/13/2011 603
1.11 Complete theoretical database with updated geometries, some minor fixes and 8 duplicates removed. 04/16/2010 575
1.10 Update 2009 10/14/2009 583
1.00 First theoretical pah database 12/ 2/2008 556

Experimental Database

  Version Description Date Species
2.00 Preliminary version 11/13/2013 75
1.00 October 27 2009 version, added missing laboratory spectrum 10/27/2009 60

You are kindly asked to cite the following papers when using the database:


700 species present in version 2.00 of the theoretical database (Oct 29, 2013)