Heavy-Atom Tunneling in Semibullvalenes: How Driving Force, Substituents, and Environment Influence the Tunneling Rates.

Tim Schleif Jörg Tatchen Julien Frederic Rowen Frederike Beyer Elsa Sanchez-Garcia Wolfram Sander

Published in: Chemistry (Weinheim an der Bergstrasse, Germany) (2020)

Invited for the cover of this issue are the groups of Elsa Sanchez-Garcia and Wolfram Sander at the Universität Duisburg-Essen and the Ruhr-Universität Bochum. The image depicts the ideas skillfully visualized by Markus Henkel on the shift in equilibrium induced by isotopic labelling. Read the full text of the article at 10.1002/chem.202001202.

Keyphrases

molecular dynamics
single molecule
deep learning
smoking cessation
molecular dynamics simulations
machine learning
electron transfer
aqueous solution