v1.0.0

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