Dataset corresponding to theoretical calculations in the paper "Power discontinuity and shift of the energy onset of a molecular de-bromination reaction induced by hot-electron tunneling. Nanoscale 13, 15215 (2021)" DOI: 10.1039/D1NR04229G

Please cite as:
Ana Barragán, Roberto Robles, Nicolás Lorente  and  Lucia Vitali. Dataset supporting the paper "Power discontinuity and shift of the energy onset of a molecular de-bromination reaction induced by hot-electron tunneling. Nanoscale 13, 15215 (2021)". 2022, DOI: 10.5281/zenodo.6337417

List of files:

Several folders corresponding to the figures of the paper. They contain:
CONTCAR files: relaxed structures in VASP format. They can be visualized with VESTA (https://jp-minerals.org/vesta/en/).
.agr: grace files (https://plasma-gate.weizmann.ac.il/Grace/).
