Dataset supporting the paper "Transmitting Stepwise Rotation among Three Molecule-Gear on the Au(111) Surface. J.Phys.Chem.Lett. 11 6892 (2020)"

<p>Dataset corresponding to figure 3 of the paper &quot;Transmitting Stepwise Rotation among Three Molecule-Gear on the Au(111) Surface. J.Phys.Chem.Lett. 11 6892 (2020), DOI: <a href="https://doi.org/10.1021/acs.jpclett.0c01747">10.1021/acs.jpclett.0c01747</a>&quot;</p> <p>List of files:<br> There are two folders corresponding to brominated and debrominated structures:</p> <ul> <li>.siesta files: STM simulated images in WsXM format (<a href="http://www.wsxm.eu/">http://www.wsxm.eu/</a>) simulated using STMpw (<a href="https://doi.org/10.5281/zenodo.3581159">https://doi.org/10.5281/zenodo.3581159</a>).</li> <li>CONTCAR files: relaxed structures in VASP format. They can be visualized with VESTA (<a href="https://jp-minerals.org/vesta/en/">https://jp-minerals.org/vesta/en/</a>)</li> </ul>