Rainers neue triple twist Kandidaten: Unterschied zwischen den Versionen
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=== Anewwrithm Werte === | === Anewwrithm Werte === | ||
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| Stiff_thiophen_tris_monoyne_NICS.xyz||24||000001110000011100000111||3||2.19709||0.802914||31.5046||27.7818||89.4079 | | Stiff_thiophen_tris_monoyne_NICS.xyz||24||000001110000011100000111||3||2.19709||0.802914||31.5046||27.7818||89.4079 | ||
|} | |} | ||
=== Strukturen & Downloads === | |||
{| border=1 cellpadding=5 | |||
| <jmol> | |||
<jmolApplet> | |||
<uploadedFileContents>Stiff_stilbene_tris_diyne_NICS.xyz</uploadedFileContents> | |||
<script>spacefill off; zoom 120;</script> | |||
</jmolApplet> | |||
</jmol> | |||
|} | |||
* [[Datei:Stiff_stilbene_tris_diyne_NICS.xyz]] |
Version vom 7. August 2009, 13:10 Uhr
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
<jmol>
<jmolApplet> <uploadedFileContents>Stiff_stilbene_tris_diyne_NICS.xyz</uploadedFileContents> <script>spacefill off; zoom 120;</script> </jmolApplet> </jmol> |