“…These processes are often governed by the propensity of molecules to react and form new species. Many significant scientific challenges and new technological advancements depend on an elementary understanding of fundamental chemical processes, for example, the design of efficient catalytic reactors that depends on a fundamental understanding of catalysis, , genetic engineering that depends on the understanding of biosynthetic pathways, and numerous technological advances that hinge on the design and production of new materials. − Computational quantum chemistry can be particularly helpful in obtaining key insight into chemical reactions. Many theories arising from this field, such as Marcus theory, valence-bond theory, and frontier molecular orbital theory, have transformed our understanding of chemical reactions and are even routinely applied by experimentalists.…”