Kinetics of the Strongly Correlated CH₃O + O₂ Reaction: The Importance of Quadruple Excitations in Atmospheric and Combustion Chemistry

Kinetics measurements on radical–radical reactions are often unavailable experimentally, and obtaining quantitative rate constants for such reactions by theoretical methods is challenging because the transition states and the reactants are often strongly correlated. Treating strongly correlated systems by coupled cluster theory limited to single, double, and triple connected excitations is often inadequate. We therefore use a new method, called...