Rainers neue triple twist Kandidaten
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Anewwrithm Werte
Filename | Rsize | CANE | Lk[Pi] | Wr[Pi] | Tw[Pi] | mean(Tw)[deg] | RMSD(Tw)[deg] | max(Tw)[deg] |
Stiff_stilbene_tris_diyne_NICS.xyz | 18 | 000001000001000001 | 3 | 2.87243 | 0.127573 | 20.2269 | 5.30321 | 28.1956 |
Stiff_stilbene_tris_monoyne_NICS.xyz | 18 | 000001000001000001 | 3 | 2.11409 | 0.88591 | 13.4307 | 9.87524 | 31.0156 |
Stiff_thiophen_tris_diyne_NICS.xyz | 18 | 000001000001000001 | 3 | 2.75316 | 0.246841 | 17.4114 | 4.4824 | 23.6146 |
Stiff_thiophen_tris_monoyne_NICS.xyz | 18 | 000001000001000001 | 3 | 2.14581 | 0.854193 | 13.8089 | 8.0555 | 25.099 |
Strukturen & Downloads
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