Role of TiO2 fluxionality in its nonadiabatic dynamics
This repository contains data and example scripts for the manuscript
"Thermally Activated Fluxionality Accelerates Nonradiative Decay in Titania Nanoclusters" by
Miguel Recio-Poo, Stefan T. Bromley, Scott G. Sayres, Francesc Illas, Alexey V. Akimov, and Ángel Morales-Garcia
What's Changed
- Add TiO2 fluxionality workflows and selected outputs by @miguelrecioub in #2
New Contributors
- @miguelrecioub made their first contribution in #2
Full Changelog: https://github.com/AkimovLab/Project_TiO2_fluxionality/commits/v1.0.0
Contributors
miguelrecioub