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Emucke (Diskussion | Beiträge) Keine Bearbeitungszusammenfassung |
Emucke (Diskussion | Beiträge) Keine Bearbeitungszusammenfassung |
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Zeile 1: | Zeile 1: | ||
Verschiedene Polyzyklen werden gebildet: | Verschiedene Polyzyklen werden gebildet: | ||
Zeile 70: | Zeile 69: | ||
|| [[Datei:Zweiring_all.kmlyptop24.freq.186.xyz]] | || [[Datei:Zweiring_all.kmlyptop24.freq.186.xyz]] | ||
|- | |- | ||
| Vierring 5147 | | Vierring 5147 | ||
|| <jmol> | || <jmol> | ||
Zeile 81: | Zeile 79: | ||
</jmol> | </jmol> | ||
|| [[Datei:all_13.kmlyp.5147.xyz]] | || [[Datei:all_13.kmlyp.5147.xyz]] | ||
|- | |||
| Dreiring 57 | |||
|| <jmol> | |||
<jmolAppletButton> | |||
<name>Dreiring 57</name> | |||
<uploadedFileContents>Zweiring_all.kmlyptop24.freq.57.xyz</uploadedFileContents> | |||
<text>3D-Popup</text> | |||
<script>spacefill off; zoom 120; spin on;</script> | |||
</jmolAppletButton> | |||
</jmol> | |||
|| [[Datei:Zweiring_all.kmlyptop24.freq.57.xyz]] | |||
|- | |||
| Dreiring 172 | |||
|| <jmol> | |||
<jmolAppletButton> | |||
<name>Dreiring 172</name> | |||
<uploadedFileContents>Zweiring_all.kmlyptop24.freq.172.xyz</uploadedFileContents> | |||
<text>3D-Popup</text> | |||
<script>spacefill off; zoom 120; spin on;</script> | |||
</jmolAppletButton> | |||
</jmol> | |||
|| [[Datei:Zweiring_all.kmlyptop24.freq.172.xyz]] | |||
|- | |||
| Dreiring 178 | |||
|| <jmol> | |||
<jmolAppletButton> | |||
<name>Dreiring 178</name> | |||
<uploadedFileContents>Zweiring_all.kmlyptop24.freq.178.xyz</uploadedFileContents> | |||
<text>3D-Popup</text> | |||
<script>spacefill off; zoom 120; spin on;</script> | |||
</jmolAppletButton> | |||
</jmol> | |||
|| [[Datei:Zweiring_all.kmlyptop24.freq.178.xyz]] | |||
|- | |||
| Dreiring 63 | |||
|| <jmol> | |||
<jmolAppletButton> | |||
<name>Dreiring 63</name> | |||
<uploadedFileContents>Zweiring_all.kmlyptop24.freq.63.xyz</uploadedFileContents> | |||
<text>3D-Popup</text> | |||
<script>spacefill off; zoom 120; spin on;</script> | |||
</jmolAppletButton> | |||
</jmol> | |||
|| [[Datei:Zweiring_all.kmlyptop24.freq.63.xyz]] | |||
|- | |- | ||
| Dreiring 5149 | | Dreiring 5149 |
Version vom 8. Juni 2009, 09:14 Uhr
Verschiedene Polyzyklen werden gebildet:
Nr Zyklus abs. E rel E (zu M) ZPE PG Bemerkung
113 Dreiring -314801.3097 -44.30 145.7 C1 Hier kommt es zu einer Protonenwanderung (unwahrscheinlich) 186 Dreiring -314785.6596 -28.65 146.5 C1 5147 Vierring -314784.4981 -27.4899 147.6 Cs öffnet sich zu 5149 57 Dreiring -314780.7713 -23.76 145.7 C1 172 Dreiring -314779.3933 -22.39 145.5 C1 178 Dreiring -314778.0279 -21.02 145.7 C1 63 Dreiring -314775.4187 -18.41 145.6 C1 5149 Dreiring -3147774.3268 -17.32 146.3 C1 - 5148 Vierring -314773.142 -16.13 146.8 C1 - 61 Dreiring -314770.2674 -13.36 145.4 C1 4602 Dreiring -314768.9704 -11.96 145.2 C1 wird zu 542 (--> Wanne) Vierring 126 Dreiring -314768.9723 -11.96 145.2 C1 132 Dreiring -314765.6778 -8.67 144.9 C1 95 Dreiring -314761.7164 -4.71 145.0 C1 1 Zweiring -314754.8558 2.15 145.2 C1 3 Zweiring -314753.3504 3.66 145.1 C1 3364 Zweiring -314752.4280 4.58 144.9 C1 wird zu eingeknicktes Herz!! 542 Zweiring -314750.3296 6.68 145.7 C2 wird zu Wanne (602) 17 Zweiring -314750.0874 6.92 145.5 C1 9 Zweiring -314748.7514 8.26 145.3 C1 21 Zweiring -314748.5142 8.49 145.0 C1 27 Zweiring -314746.9511 10.06 144.3 C1 69 Zweiring -314746.9178 10.09 145.3 C1 5472 Zweiring -314746.5620 10.45 145.2 C1 ? 33 Zweiring -314746.5488 10.46 144.7 C1 23 Zweiring -314745.0253 11.98 145.2 C1 3972 Zweiring -314745.0246 11.98 145.2 C1 wird zu eingeknicktes Herz 31 Zweiring -314744.3413 12.67 145.1 C1 47 Zweiring -314743.4433 13.56 145.5 C1 3417 Zweiring -314743.4427 13.57 145.5 C1
Struktur | Jmol-Ansicht | Dateilink |
Dreiring 113 | <jmol>
<jmolAppletButton> <name>Dreiring 113</name> <uploadedFileContents>Zweiring_all.kmlyptop24.freq.113.xyz</uploadedFileContents> <text>3D-Popup</text> <script>spacefill off; zoom 120; spin on;</script> </jmolAppletButton> </jmol> |
Datei:Zweiring all.kmlyptop24.freq.113.xyz |
Dreiring 186 | <jmol>
<jmolAppletButton> <name>Dreiring 186</name> <uploadedFileContents>Zweiring_all.kmlyptop24.freq.186.xyz</uploadedFileContents> <text>3D-Popup</text> <script>spacefill off; zoom 120; spin on;</script> </jmolAppletButton> </jmol> |
Datei:Zweiring all.kmlyptop24.freq.186.xyz |
Vierring 5147 | <jmol>
<jmolAppletButton> <name>Vierring 5147</name> <uploadedFileContents>all_13.kmlyp.5147.xyz</uploadedFileContents> <text>3D-Popup</text> <script>spacefill off; zoom 120; spin on;</script> </jmolAppletButton> </jmol> |
Datei:All 13.kmlyp.5147.xyz |
Dreiring 57 | <jmol>
<jmolAppletButton> <name>Dreiring 57</name> <uploadedFileContents>Zweiring_all.kmlyptop24.freq.57.xyz</uploadedFileContents> <text>3D-Popup</text> <script>spacefill off; zoom 120; spin on;</script> </jmolAppletButton> </jmol> |
Datei:Zweiring all.kmlyptop24.freq.57.xyz |
Dreiring 172 | <jmol>
<jmolAppletButton> <name>Dreiring 172</name> <uploadedFileContents>Zweiring_all.kmlyptop24.freq.172.xyz</uploadedFileContents> <text>3D-Popup</text> <script>spacefill off; zoom 120; spin on;</script> </jmolAppletButton> </jmol> |
Datei:Zweiring all.kmlyptop24.freq.172.xyz |
Dreiring 178 | <jmol>
<jmolAppletButton> <name>Dreiring 178</name> <uploadedFileContents>Zweiring_all.kmlyptop24.freq.178.xyz</uploadedFileContents> <text>3D-Popup</text> <script>spacefill off; zoom 120; spin on;</script> </jmolAppletButton> </jmol> |
Datei:Zweiring all.kmlyptop24.freq.178.xyz |
Dreiring 63 | <jmol>
<jmolAppletButton> <name>Dreiring 63</name> <uploadedFileContents>Zweiring_all.kmlyptop24.freq.63.xyz</uploadedFileContents> <text>3D-Popup</text> <script>spacefill off; zoom 120; spin on;</script> </jmolAppletButton> </jmol> |
Datei:Zweiring all.kmlyptop24.freq.63.xyz |
Dreiring 5149 | <jmol>
<jmolAppletButton> <name>Dreiring 5149</name> <uploadedFileContents>Hochsitzohne.5149.xyz</uploadedFileContents> <text>3D-Popup</text> <script>spacefill off; zoom 120; spin on;</script> </jmolAppletButton> </jmol> |
Datei:Hochsitzohne.5149.xyz |
Vierring 5148 | <jmol>
<jmolAppletButton> <name>Vierring 5148</name> <uploadedFileContents>Vierring.5148.xyz</uploadedFileContents> <text>3D-Popup</text> <script>spacefill off; zoom 120; spin on;</script> </jmolAppletButton> </jmol> |
Datei:Vierring.5148.xyz |