Abstract: All the data necessary for reproducing Probe-Particle Simulations published in : On-Surface Synthesis of a π-Extended Diaza[8]circulene Kimihiro Nakamura, Qiang-Qiang Li, Ondřej Krejčí, Adam S. Foster*, Kewei Sun, Shigeki Kawai*, and Shingo Ito* J. Am. Chem. Soc. 2020, 142, 26, 11363–11369 Publication Date:May 15, 2020 https://doi.org/10.1021/jacs.0c02534 The protocol (and description of the files) is as follows: 1. POSCAR, which contains: DFT optimised geometry of DBCOT/Au(111) (w. 5 layers of Au) as calculated via VASP by Adam. S. Foste...
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