“…Discrepancies between state-of-the-art theory and experiments have also been noted in the temperature dependence of the self-reaction of HO 2 + HO 2 leading to H 2 O 2 + O 2 ; these could be resolved using a multiscale informatics approach that takes into account experimental raw data and, compared to previous work, includes the formation of a HOOOOH intermediate . Experimental investigations with laser and synchrotron-based techniques have led to an improved understanding of several reaction systems of combustion and astrophysical interest, including the CH + H 2 ⇌ 3 CH 2 + H reaction, and the photodissociation dynamics of propyl derivatives . Such techniques also support the identification of transient reaction intermediates, such as phenoxy radical, which is a key intermediate in benzene oxidation and biomass conversion .…”