Database for C24Hm (m=0,6,12,18,24)
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The database contains the following folders/files : In the c24hn (n=6,12,18,24) directories, one can find :<br> - the *xyz files which contains all the geometries in cartesian coordinates and their energies in Hartree for the four determined families (cage,flake,pretzel,branched).<br> - the data files necessary to build Figs. 6 and 8 of the manuscript The fig6.gp and fig8.gp scripts allow to reproduce Figs. 6 and 8 of the manuscript. In the Figx folders, one can find the scripts and data necessary to repoduce the corresponding figures. In the IP_Fig12_s4-6 folder, one can find 5 folders containing the scripts and data to reproduce the IP spectra reported in Fig. 12 as well as Fig. S4-6.
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Zenodo创建时间:
2021-03-16



