title: Atom Tunneling in Chemistry.
abstract: Quantum mechanical tunneling of atoms is increasingly found to play an important role in many chemical transformations. Experimentally, atom tunneling can be indirectly detected by temperature-independent rate constants at low temperature or by enhanced kinetic isotope effects. In contrast, the influence of tunneling on the reaction rates can be monitored directly through computational investigations. The tunnel effect, for example, changes reaction paths and branching ratios, enables chemical reactions in an astrochemical environment that would be impossible by thermal transition, and influences biochemical processes.
authors.affiliation: Institut für Theoretische Chemie, Universität Stuttgart, Pfaffenwaldring 55, 70569, Stuttgart, Germany.
authors.forename: Jan
authors.initials: J
authors.lastname: Meisner
authors.affiliation: Institut für Theoretische Chemie, Universität Stuttgart, Pfaffenwaldring 55, 70569, Stuttgart, Germany. kaestner@theochem.uni-stuttgart.de.
authors.forename: Johannes
authors.identifier: 0000-0001-6178-7669
authors.initials: J
authors.lastname: Kästner
keywords: isotope effects; quantum chemistry; reaction rates; reactivity; tunnel effects