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  Verschiedene Polycyclen werden gebildet:
  Verschiedene Polyzyklen werden gebildet:
 
Der Tetrazyklus '''5147''' ist mit deutlichem Abstand der stabilste mit fast 27.48 kcal/mol gegenüber dem globalen Minimum (Möbiusstruktur).




   Nr      Zyklus    abs. E          rel E (zu M)  ZPE  PG    Bemerkung
   Nr      Zyklus    abs. E          rel E (zu M)  ZPE  PG    Bemerkung


  113                 -314801.3097                 145.7
  '''113'''  Dreiring    -314801.3097   -44.30    145.7 C1  Hier kommt es zu einer Protonenwanderung         
  186                 -314785.6596                 146.5
                                                              (unwahrscheinlich)
   
  '''186'''  Dreiring    -314785.6596   -28.65    146.5 C1  
  '''5147'''  Vierring  -314784.4981 -27.4899 147.6 Cs  öffnet sich zu 5149   
  '''5147'''  Vierring  -314784.4981 -27.49 147.6 Cs  öffnet sich zu 5149   
   57                -314780.7713                 145.7
'''57'''   Dreiring    -314780.7713   -23.76              145.7 C1
    
'''172'''  Dreiring   -314779.3933   -22.39    145.5 C1
  172                -314779.3933                 145.5
'''178'''  Dreiring   -314778.0279   -21.02    145.7 C1
 
'''63'''  Dreiring   -314775.4187   -18.41    145.6 C1
   178                -314778.0279                 145.7
  '''5149''' Dreiring  -3147774.3268 -17.32    146.3  C1  -
    
  '''5148''' Vierring   -314773.142     -16.13    146.8  C1    -
  63                -314775.4187                   145.6
  '''61'''  Dreiring  -314770.2674   -13.36    145.4 C1
 
  '''4602'''  Dreiring   -314768.9704 -11.96    145.2 C1  wird zu 542 (--> Wanne)   
  '''5149''' Dreiring  -3147774.3268 -17.3186  146.3  C1  -
   
5148 Vierring         -314773.142     -16.1339 146.84 C1    -
   
61                     -314770.2674             145.4
  4602 Dreiring         -314768.9704 -11.9622 145.2 C1  wird zu 542 (--> Wanne)   
                                                             Vierring
                                                             Vierring
  126                   -314768.9723             145.2  
  '''126'''  Dreiring  -314768.9723   -11.96    145.2 C1
  132                   -314765.6778             144.9
  '''132 '''  Dreiring  -314765.6778   -8.67    144.9 C1
  95                     -314761.7164             145.0
  '''95'''    Dreiring  -314761.7164   -4.71    145.0 C1
1                      -314754.8558              145.2
  3                      -314753.3504              145.1
   
   
 
  '''1'''    Zweiring  -314754.8558    2.15    145.2  C1
   
  '''3'''    Zweiring  -314753.3504    3.66    145.1  C1
  3364 Zweiring         -314752.4280 4.5802 144.9 C1  wird zu eingeknicktes Herz!!
  '''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)
542  Zweiring         -314750.3296 6.6786   145.7   C2  wird zu Wanne (602)
  '''17'''    Dreiring  -314750.0874     6.92    145.5 C1
  17                     -314750.0874             145.5
  '''9'''    Zweiring  -314748.7514     8.26    145.3 C1
  9                       -314748.7514             145.3
  '''21'''    Dreiring  -314748.5142     8.49    145.0 C1
  21                     -314748.5142             145.0
  '''27'''    Zweiring  -314746.9511   10.06    144.3 C1
  27                     -314746.9511             144.3
  '''69'''    Dreiring  -314746.9178   10.09    145.3 C1
   
  '''5472'''  Zweiring   -314746.5620 10.45   145.2 C1    ?
69                       -314746.9178           145.3
  '''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
  5472 Zweiring         -314746.5620 10.4462 145.2   C1    ?
  '''31'''    Zweiring  -314744.3413   12.67    145.1 C1
  33                     -314746.5488           144.7
  '''47'''    Zweiring  -314743.4433   13.56    145.5 C1
  23                     -314745.0253           145.2
  '''3417'''  Zweiring   -314743.4427 13.57   145.5 C1
 
  3972 Zweiring           -314745.0246 11.9836 145.2 C1    wird zu eingeknicktes Herz
  31                     -314744.3413           145.1
  47                     -314743.4433             145.5
 
  3417 Zweiring         -314743.4427 13.5655 145.5 C1




Zeile 60: Zeile 44:
| align="center" style="background:#f0f0f0;"|'''Jmol-Ansicht'''
| align="center" style="background:#f0f0f0;"|'''Jmol-Ansicht'''
| align="center" style="background:#f0f0f0;"|'''Dateilink'''
| align="center" style="background:#f0f0f0;"|'''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
| Vierring  5147
Zeile 72: Zeile 78:
   || [[Datei:all_13.kmlyp.5147.xyz]]
   || [[Datei:all_13.kmlyp.5147.xyz]]
|-
|-
| Dreiring  5147
| 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>
   || <jmol>
   <jmolAppletButton>
   <jmolAppletButton>
     <name>Dreiring  5147</name>
     <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>
     <uploadedFileContents>Hochsitzohne.5149.xyz</uploadedFileContents>
     <text>3D-Popup</text>
     <text>3D-Popup</text>
Zeile 93: Zeile 144:
</jmol>
</jmol>
   || [[Datei:Vierring.5148.xyz]]
   || [[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]]
|-
| Dreiring 17
  || <jmol>
  <jmolAppletButton>
    <name>Dreiring 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]]
|-
| Dreiring 21
  || <jmol>
  <jmolAppletButton>
    <name>Dreiring 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.27.xyz]]
|-
| Dreiring 69
  || <jmol>
  <jmolAppletButton>
    <name>Dreiring 69 </name>
    <uploadedFileContents>Zweiring_all.kmlyptop24.freq.69.xyz</uploadedFileContents>
    <text>3D-Popup</text>
    <script>spacefill off; zoom 120; spin on;</script>
  </jmolAppletButton>
</jmol>
  || [[Datei:Zweiring_all.kmlyptop24.freq.69.xyz]]
|-
| Zweiring 5472
  || <jmol>
  <jmolAppletButton>
    <name>Zweiring 5472 </name>
    <uploadedFileContents>Zweiring_all.kmlyptop24.freq.5472.xyz</uploadedFileContents>
    <text>3D-Popup</text>
    <script>spacefill off; zoom 120; spin on;</script>
  </jmolAppletButton>
</jmol>
  || [[Datei:Zweiring_all.kmlyptop24.freq.5472.xyz]]
|}
|}

Aktuelle Version vom 9. Juni 2009, 10:58 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	-27.49  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    Dreiring   -314750.0874     6.92     145.5  C1
9     Zweiring   -314748.7514     8.26     145.3  C1
21    Dreiring   -314748.5142     8.49     145.0  C1
27    Zweiring   -314746.9511    10.06     144.3  C1
69    Dreiring   -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>
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</jmol>

Datei:Zweiring all.kmlyptop24.freq.4602.xyz
Dreiring 126 <jmol> 
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</jmol>

Datei:Zweiring all.kmlyptop24.freq.126.xyz
Dreiring 132 <jmol> 
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   <name>Dreiring 132</name>
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</jmol>

Datei:Zweiring all.kmlyptop24.freq.132.xyz
Dreiring 95 <jmol> 
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   <name>Dreiring 95 </name>
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   <text>3D-Popup</text>
   <script>spacefill off; zoom 120; spin on;</script>
 </jmolAppletButton>

</jmol>

Datei:Zweiring all.kmlyptop24.freq.95.xyz
Zweiring 1 <jmol> 
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   <name>Dreiring 1 </name>
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 </jmolAppletButton>

</jmol>

Datei:Zweiring all.kmlyptop24.freq.1.xyz
Zweiring 3 <jmol> 
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   <name>Zweiring 3</name>
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</jmol>

Datei:Zweiring all.kmlyptop24.freq.3.xyz
Zweiring 3364 <jmol> 
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   <name>Zweiring 3364</name>
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   <text>3D-Popup</text>
   <script>spacefill off; zoom 120; spin on;</script>
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</jmol>

Datei:Zweiring all.kmlyptop24.freq.3364.xyz
Zweiring 542 <jmol> 
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   <name>Zweiring 542</name>
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   <text>3D-Popup</text>
   <script>spacefill off; zoom 120; spin on;</script>
 </jmolAppletButton>

</jmol>

Datei:Zweiring all.kmlyptop24.freq.542.xyz
Dreiring 17 <jmol> 
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   <name>Dreiring 17</name>
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 </jmolAppletButton>

</jmol>

Datei:Zweiring all.kmlyptop24.freq.17.xyz
Zweiring 9 <jmol> 
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   <name>Zweiring 9</name>
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   <script>spacefill off; zoom 120; spin on;</script>
 </jmolAppletButton>

</jmol>

Datei:Zweiring all.kmlyptop24.freq.9.xyz
Dreiring 21 <jmol> 
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   <name>Dreiring 21</name>
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   <text>3D-Popup</text>
   <script>spacefill off; zoom 120; spin on;</script>
 </jmolAppletButton>

</jmol>

Datei:Zweiring all.kmlyptop24.freq.21.xyz
Zweiring 27 <jmol> 
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   <name>Zweiring 27 </name>
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   <text>3D-Popup</text>
   <script>spacefill off; zoom 120; spin on;</script>
 </jmolAppletButton>

</jmol>

Datei:Zweiring all.kmlyptop24.freq.27.xyz
Dreiring 69 <jmol> 
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   <name>Dreiring 69 </name>
   <uploadedFileContents>Zweiring_all.kmlyptop24.freq.69.xyz</uploadedFileContents>
   <text>3D-Popup</text>
   <script>spacefill off; zoom 120; spin on;</script>
 </jmolAppletButton>

</jmol>

Datei:Zweiring all.kmlyptop24.freq.69.xyz
Zweiring 5472 <jmol> 
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   <name>Zweiring 5472 </name>
   <uploadedFileContents>Zweiring_all.kmlyptop24.freq.5472.xyz</uploadedFileContents>
   <text>3D-Popup</text>
   <script>spacefill off; zoom 120; spin on;</script>
 </jmolAppletButton>

</jmol>

Datei:Zweiring all.kmlyptop24.freq.5472.xyz
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