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TUNNELCHEM investigates quantum tunneling in various chemical processes, including biochemistry and catalysis, to enhance the understanding of hydrogen transfer reactions. The project aims to develop theoretical models that predict tunneling rates, facilitating the design of more efficient chemical reactions and cataly…
Quantum mechanical tunneling of atoms is emerging as an ubiquitous phenomenon in chemistry.
Every chemical reaction that includes a hydrogen transfer can be expected to be influenced by tunneling at room temperature.
While simulations can monitor tunneling directly, experimental approaches can only detect the consequences.
Theoretical investigations, as planned in TUNNELCHEM, have to keep up in order to aid the rational interpretation.
We build on significant algorithmic breakthroughs recently a…
UNIVERSITY OF STUTTGART
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