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 30 000001000100000100010000010001 6 2.72084 3.27916 26.7568 22.0717 68.7446
Stiff_stilbene_tris_monoyne_NICS.xyz 24 000001110000011100000111 3 2.12821 0.871791 12.9182 8.32081 31.0156
Stiff_thiophen_tris_diyne_NICS.xyz 30 000001000100000100010000010001 6 2.68857 3.31143 26.2929 29.1112 82.1897
Stiff_thiophen_tris_monoyne_NICS.xyz 24 000001110000011100000111 3 2.19709 0.802914 31.5046 27.7818 89.4079

Strukturen & Downloads

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