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Image tour 1

1. Search bar

The web-portal implements a powerful search engine that allows users to find and select data using simplified queries. For example, the search string “carbon>10 and carbon<0 and nitrogen>>0 and charge=0” or “c>10 c<50 n>0 neutral” will return the spectra of the neutral PAH molecules that have more than 10 and less than 50 carbon atoms and 1 or more nitrogen atoms.

2. Species per page

A menu to let the users choose the number of species they want to see per page.

3. Icons versus list

Two differents ways to show the species. Icons will offer the name of the formula of the species and on the other will list the species with a more detailed information.

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You are kindly asked to consider the following references for citation when using the database:

3,139 species present in version 3.00 of the theoretical database (Aug 18, 2017)