HyDRA I Challenge
- Starting date: 24/08/2021
- Submission deadline: 23/02/2022
- Direct link to open source publication
A challenge to establish the predictive power of computational spectroscopy on the example of 1:1 complexes of organic molecules with water. The quantity to predict is the hydrogen-bonded OH bond stretching fundamental of water relative to the free water value of 3657 cm-1 (experimental symmetric stretch). Read more about the challenge.
Use the link below for an overview of the systems featured
For vibrational spectroscopists
You can still submit suggestions to extend the hydrates data pool through the link below.
Submit further hydrate systems
You can also find here an overview of all the submitted systems so far.
