In
#chemistry, understanding the interaction of a solute with the surrounding solvent molecules is essential to control reactivity. VSC users at
@univie.ac.at offer a new perspective, published in
@rsc.org ->
pubs.rsc.org/en/content/a...
@letigonzalez.bsky.social @sebastian-mai.bsky.social #HPC
Ultrafast solvent migration in an iron complex revealed by nonadiabatic dynamics simulations
The response of a solvation shell to molecular solute photoexcitation is an ubiquitous phenomenon of great relevance in chemistry. This response can occur within just few tens of femtoseconds, making ...
