Reactions of hydroxyl (OH) and hydroperoxyl (HO2) are important for governing the reactivity of combustion systems. We performed post-CCSD(T) ab initio calculations at the W3X-L//CCSD = FC/cc-pVTZ ...
Mineral pyrites-metal sulfides abundant in the earth's crust-exhibit oxidative ability when exposed to water. This oxidizing ability makes mineral pyrites suitable for the natural and enhanced ...