Dataset supporting the paper "Bipolar single-molecule electroluminescence and electrofluorochromism. Physical Review Research 5, 033027 (2023)"

Dataset corresponding to theoretical calculations in the paper "Bipolar single-molecule electroluminescence and electrofluorochromism. Physical Review Research 5, 033027 (2023)" DOI: https://doi.org/10.1103/PhysRevResearch.5.033027 Please cite as: Tzu-Chao Hung, Roberto Robles, Brian Kiraly, Julian H. Strik, Bram A. Rutten, Alexander A. Khajetoorians, Nicolas Lorente and Daniel Wegner. Dataset supporting the paper "Bipolar single-molecule electroluminescence and electrofluorochromism. Physical Review Research 5, 033027 (2023)" DOI:10.5281/zenodo.13768737 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/). Image files in png format.