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| Zeile 150: | Zeile 150: | ||
|| <jmol> | || <jmol> | ||
<jmolAppletButton> | <jmolAppletButton> | ||
<name> | <name>Dreiring 61</name> | ||
<uploadedFileContents> | <uploadedFileContents>Zweiring_all.kmlyptop24.freq.61.xyz</uploadedFileContents> | ||
<text>3D-Popup</text> | <text>3D-Popup</text> | ||
<script>spacefill off; zoom 120; spin on;</script> | <script>spacefill off; zoom 120; spin on;</script> | ||
</jmolAppletButton> | </jmolAppletButton> | ||
</jmol> | </jmol> | ||
|| [[Datei: | || [[Datei:Zweiring_all.kmlyptop24.freq.61.xyz]] | ||
|- | |- | ||
| | | Dreiring 4602 | ||
|| <jmol> | || <jmol> | ||
<jmolAppletButton> | <jmolAppletButton> | ||
<name> | <name>Dreiring 4602</name> | ||
<uploadedFileContents> | <uploadedFileContents>Zweiring_all.kmlyptop24.freq.4602.xyz</uploadedFileContents> | ||
<text>3D-Popup</text> | <text>3D-Popup</text> | ||
<script>spacefill off; zoom 120; spin on;</script> | <script>spacefill off; zoom 120; spin on;</script> | ||
</jmolAppletButton> | </jmolAppletButton> | ||
</jmol> | </jmol> | ||
|| [[Datei: | || [[Datei:Zweiring_all.kmlyptop24.freq.4602.xyz]] | ||
|- | |- | ||
| | | Dreiring 126 | ||
|| <jmol> | || <jmol> | ||
<jmolAppletButton> | <jmolAppletButton> | ||
<name> | <name>Dreiring 126</name> | ||
<uploadedFileContents> | <uploadedFileContents>Zweiring_all.kmlyptop24.freq.126.xyz</uploadedFileContents> | ||
<text>3D-Popup</text> | <text>3D-Popup</text> | ||
<script>spacefill off; zoom 120; spin on;</script> | <script>spacefill off; zoom 120; spin on;</script> | ||
</jmolAppletButton> | </jmolAppletButton> | ||
</jmol> | </jmol> | ||
|| [[Datei: | || [[Datei:Zweiring_all.kmlyptop24.freq.126.xyz]] | ||
|- | |- | ||
| | | Dreiring 132 | ||
|| <jmol> | || <jmol> | ||
<jmolAppletButton> | <jmolAppletButton> | ||
<name> | <name>Dreiring 132</name> | ||
<uploadedFileContents> | <uploadedFileContents>Zweiring_all.kmlyptop24.freq.132.xyz</uploadedFileContents> | ||
<text>3D-Popup</text> | <text>3D-Popup</text> | ||
<script>spacefill off; zoom 120; spin on;</script> | <script>spacefill off; zoom 120; spin on;</script> | ||
</jmolAppletButton> | </jmolAppletButton> | ||
</jmol> | </jmol> | ||
|| [[Datei: | || [[Datei:Zweiring_all.kmlyptop24.freq.132.xyz]] | ||
|- | |- | ||
| | | Dreiring 95 | ||
|| <jmol> | || <jmol> | ||
<jmolAppletButton> | <jmolAppletButton> | ||
<name> | <name>Dreiring 95 </name> | ||
<uploadedFileContents> | <uploadedFileContents>Zweiring_all.kmlyptop24.freq.95.xyz</uploadedFileContents> | ||
<text>3D-Popup</text> | <text>3D-Popup</text> | ||
<script>spacefill off; zoom 120; spin on;</script> | <script>spacefill off; zoom 120; spin on;</script> | ||
</jmolAppletButton> | </jmolAppletButton> | ||
</jmol> | </jmol> | ||
|| [[Datei: | || [[Datei:Zweiring_all.kmlyptop24.freq.95.xyz]] | ||
|- | |- | ||
| | | Zweiring 1 | ||
|| <jmol> | || <jmol> | ||
<jmolAppletButton> | <jmolAppletButton> | ||
<name> | <name>Dreiring 1 </name> | ||
<uploadedFileContents> | <uploadedFileContents>Zweiring_all.kmlyptop24.freq.1.xyz</uploadedFileContents> | ||
<text>3D-Popup</text> | <text>3D-Popup</text> | ||
<script>spacefill off; zoom 120; spin on;</script> | <script>spacefill off; zoom 120; spin on;</script> | ||
</jmolAppletButton> | </jmolAppletButton> | ||
</jmol> | </jmol> | ||
|| [[Datei: | || [[Datei:Zweiring_all.kmlyptop24.freq.1.xyz]] | ||
|- | |- | ||
| | | Zweiring 3 | ||
|| <jmol> | || <jmol> | ||
<jmolAppletButton> | <jmolAppletButton> | ||
<name> | <name>Zweiring 3</name> | ||
<uploadedFileContents> | <uploadedFileContents>Zweiring_all.kmlyptop24.freq.3.xyz</uploadedFileContents> | ||
<text>3D-Popup</text> | <text>3D-Popup</text> | ||
<script>spacefill off; zoom 120; spin on;</script> | <script>spacefill off; zoom 120; spin on;</script> | ||
</jmolAppletButton> | </jmolAppletButton> | ||
</jmol> | </jmol> | ||
|| [[Datei: | || [[Datei:Zweiring_all.kmlyptop24.freq.3.xyz]] | ||
|- | |- | ||
| | | Zweiring 3364 | ||
|| <jmol> | || <jmol> | ||
<jmolAppletButton> | <jmolAppletButton> | ||
<name> | <name>Zweiring 3364</name> | ||
<uploadedFileContents> | <uploadedFileContents>Zweiring_all.kmlyptop24.freq.3364.xyz</uploadedFileContents> | ||
<text>3D-Popup</text> | <text>3D-Popup</text> | ||
<script>spacefill off; zoom 120; spin on;</script> | <script>spacefill off; zoom 120; spin on;</script> | ||
</jmolAppletButton> | </jmolAppletButton> | ||
</jmol> | </jmol> | ||
|| [[Datei: | || [[Datei:Zweiring_all.kmlyptop24.freq.3364.xyz]] | ||
|- | |- | ||
| | | Zweiring 542 | ||
|| <jmol> | || <jmol> | ||
<jmolAppletButton> | <jmolAppletButton> | ||
<name> | <name>Zweiring 542</name> | ||
<uploadedFileContents> | <uploadedFileContents>Zweiring_all.kmlyptop24.freq.542.xyz</uploadedFileContents> | ||
<text>3D-Popup</text> | <text>3D-Popup</text> | ||
<script>spacefill off; zoom 120; spin on;</script> | <script>spacefill off; zoom 120; spin on;</script> | ||
</jmolAppletButton> | </jmolAppletButton> | ||
</jmol> | </jmol> | ||
|| [[Datei: | || [[Datei:Zweiring_all.kmlyptop24.freq.542.xyz]] | ||
|- | |- | ||
| | | Zweiring 17 | ||
|| <jmol> | || <jmol> | ||
<jmolAppletButton> | <jmolAppletButton> | ||
<name> | <name>Zweiring 17</name> | ||
<uploadedFileContents> | <uploadedFileContents>Zweiring_all.kmlyptop24.freq.17.xyz</uploadedFileContents> | ||
<text>3D-Popup</text> | <text>3D-Popup</text> | ||
<script>spacefill off; zoom 120; spin on;</script> | <script>spacefill off; zoom 120; spin on;</script> | ||
</jmolAppletButton> | </jmolAppletButton> | ||
</jmol> | </jmol> | ||
|| [[Datei: | || [[Datei:Zweiring_all.kmlyptop24.freq.17.xyz]] | ||
|- | |- | ||
| | | Zweiring 9 | ||
|| <jmol> | || <jmol> | ||
<jmolAppletButton> | <jmolAppletButton> | ||
<name> | <name>Zweiring 9</name> | ||
<uploadedFileContents> | <uploadedFileContents>Zweiring_all.kmlyptop24.freq.9.xyz</uploadedFileContents> | ||
<text>3D-Popup</text> | <text>3D-Popup</text> | ||
<script>spacefill off; zoom 120; spin on;</script> | <script>spacefill off; zoom 120; spin on;</script> | ||
</jmolAppletButton> | </jmolAppletButton> | ||
</jmol> | </jmol> | ||
|| [[Datei: | || [[Datei:Zweiring_all.kmlyptop24.freq.9.xyz]] | ||
|- | |- | ||
| | | Zweiring 21 | ||
|| <jmol> | || <jmol> | ||
<jmolAppletButton> | <jmolAppletButton> | ||
<name> | <name>Zweiring 21</name> | ||
<uploadedFileContents> | <uploadedFileContents>Zweiring_all.kmlyptop24.freq.21.xyz</uploadedFileContents> | ||
<text>3D-Popup</text> | <text>3D-Popup</text> | ||
<script>spacefill off; zoom 120; spin on;</script> | <script>spacefill off; zoom 120; spin on;</script> | ||
</jmolAppletButton> | </jmolAppletButton> | ||
</jmol> | </jmol> | ||
|| [[Datei: | || [[Datei:Zweiring_all.kmlyptop24.freq.21.xyz]] | ||
|- | |- | ||
| | | Zweiring 27 | ||
|| <jmol> | || <jmol> | ||
<jmolAppletButton> | <jmolAppletButton> | ||
<name> | <name>Zweiring 27 </name> | ||
<uploadedFileContents> | <uploadedFileContents>Zweiring_all.kmlyptop24.freq.27.xyz</uploadedFileContents> | ||
<text>3D-Popup</text> | <text>3D-Popup</text> | ||
<script>spacefill off; zoom 120; spin on;</script> | <script>spacefill off; zoom 120; spin on;</script> | ||
</jmolAppletButton> | </jmolAppletButton> | ||
</jmol> | </jmol> | ||
|| [[Datei: | || [[Datei:Zweiring_all.kmlyptop24.freq.63.xyz]] | ||
|} | |} | ||
Version vom 8. Juni 2009, 10:30 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 |
| Vierring 61 | <jmol>
<jmolAppletButton> <name>Dreiring 61</name> <uploadedFileContents>Zweiring_all.kmlyptop24.freq.61.xyz</uploadedFileContents> <text>3D-Popup</text> <script>spacefill off; zoom 120; spin on;</script> </jmolAppletButton> </jmol> |
Datei:Zweiring all.kmlyptop24.freq.61.xyz |
| Dreiring 4602 | <jmol>
<jmolAppletButton> <name>Dreiring 4602</name> <uploadedFileContents>Zweiring_all.kmlyptop24.freq.4602.xyz</uploadedFileContents> <text>3D-Popup</text> <script>spacefill off; zoom 120; spin on;</script> </jmolAppletButton> </jmol> |
Datei:Zweiring all.kmlyptop24.freq.4602.xyz |
| Dreiring 126 | <jmol>
<jmolAppletButton> <name>Dreiring 126</name> <uploadedFileContents>Zweiring_all.kmlyptop24.freq.126.xyz</uploadedFileContents> <text>3D-Popup</text> <script>spacefill off; zoom 120; spin on;</script> </jmolAppletButton> </jmol> |
Datei:Zweiring all.kmlyptop24.freq.126.xyz |
| Dreiring 132 | <jmol>
<jmolAppletButton> <name>Dreiring 132</name> <uploadedFileContents>Zweiring_all.kmlyptop24.freq.132.xyz</uploadedFileContents> <text>3D-Popup</text> <script>spacefill off; zoom 120; spin on;</script> </jmolAppletButton> </jmol> |
Datei:Zweiring all.kmlyptop24.freq.132.xyz |
| Dreiring 95 | <jmol>
<jmolAppletButton> <name>Dreiring 95 </name> <uploadedFileContents>Zweiring_all.kmlyptop24.freq.95.xyz</uploadedFileContents> <text>3D-Popup</text> <script>spacefill off; zoom 120; spin on;</script> </jmolAppletButton> </jmol> |
Datei:Zweiring all.kmlyptop24.freq.95.xyz |
| Zweiring 1 | <jmol>
<jmolAppletButton> <name>Dreiring 1 </name> <uploadedFileContents>Zweiring_all.kmlyptop24.freq.1.xyz</uploadedFileContents> <text>3D-Popup</text> <script>spacefill off; zoom 120; spin on;</script> </jmolAppletButton> </jmol> |
Datei:Zweiring all.kmlyptop24.freq.1.xyz |
| Zweiring 3 | <jmol>
<jmolAppletButton> <name>Zweiring 3</name> <uploadedFileContents>Zweiring_all.kmlyptop24.freq.3.xyz</uploadedFileContents> <text>3D-Popup</text> <script>spacefill off; zoom 120; spin on;</script> </jmolAppletButton> </jmol> |
Datei:Zweiring all.kmlyptop24.freq.3.xyz |
| Zweiring 3364 | <jmol>
<jmolAppletButton> <name>Zweiring 3364</name> <uploadedFileContents>Zweiring_all.kmlyptop24.freq.3364.xyz</uploadedFileContents> <text>3D-Popup</text> <script>spacefill off; zoom 120; spin on;</script> </jmolAppletButton> </jmol> |
Datei:Zweiring all.kmlyptop24.freq.3364.xyz |
| Zweiring 542 | <jmol>
<jmolAppletButton> <name>Zweiring 542</name> <uploadedFileContents>Zweiring_all.kmlyptop24.freq.542.xyz</uploadedFileContents> <text>3D-Popup</text> <script>spacefill off; zoom 120; spin on;</script> </jmolAppletButton> </jmol> |
Datei:Zweiring all.kmlyptop24.freq.542.xyz |
| Zweiring 17 | <jmol>
<jmolAppletButton> <name>Zweiring 17</name> <uploadedFileContents>Zweiring_all.kmlyptop24.freq.17.xyz</uploadedFileContents> <text>3D-Popup</text> <script>spacefill off; zoom 120; spin on;</script> </jmolAppletButton> </jmol> |
Datei:Zweiring all.kmlyptop24.freq.17.xyz |
| Zweiring 9 | <jmol>
<jmolAppletButton> <name>Zweiring 9</name> <uploadedFileContents>Zweiring_all.kmlyptop24.freq.9.xyz</uploadedFileContents> <text>3D-Popup</text> <script>spacefill off; zoom 120; spin on;</script> </jmolAppletButton> </jmol> |
Datei:Zweiring all.kmlyptop24.freq.9.xyz |
| Zweiring 21 | <jmol>
<jmolAppletButton> <name>Zweiring 21</name> <uploadedFileContents>Zweiring_all.kmlyptop24.freq.21.xyz</uploadedFileContents> <text>3D-Popup</text> <script>spacefill off; zoom 120; spin on;</script> </jmolAppletButton> </jmol> |
Datei:Zweiring all.kmlyptop24.freq.21.xyz |
| Zweiring 27 | <jmol>
<jmolAppletButton> <name>Zweiring 27 </name> <uploadedFileContents>Zweiring_all.kmlyptop24.freq.27.xyz</uploadedFileContents> <text>3D-Popup</text> <script>spacefill off; zoom 120; spin on;</script> </jmolAppletButton> </jmol> |
Datei:Zweiring all.kmlyptop24.freq.63.xyz |