| Literature DB >> 26990917 |
Jan Meisner1, Johannes Kästner2.
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.Keywords: isotope effects; quantum chemistry; reaction rates; reactivity; tunnel effects
Year: 2016 PMID: 26990917 DOI: 10.1002/anie.201511028
Source DB: PubMed Journal: Angew Chem Int Ed Engl ISSN: 1433-7851 Impact factor: 15.336