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  '''21'''    Dreiring  -314748.5142    8.49    145.0  C1
  '''21'''    Dreiring  -314748.5142    8.49    145.0  C1
  '''27'''    Zweiring  -314746.9511    10.06    144.3  C1
  '''27'''    Zweiring  -314746.9511    10.06    144.3  C1
  '''69'''    Zweiring   -314746.9178    10.09    145.3  C1
  '''69'''    Dreiring   -314746.9178    10.09    145.3  C1
  '''5472'''  Zweiring  -314746.5620 10.45   145.2  C1    ?
  '''5472'''  Zweiring  -314746.5620 10.45   145.2  C1    ?
  '''33 '''  Zweiring  -314746.5488    10.46    144.7  C1
  '''33 '''  Zweiring  -314746.5488    10.46    144.7  C1
Zeile 290: Zeile 290:
   || [[Datei:Zweiring_all.kmlyptop24.freq.27.xyz]]
   || [[Datei:Zweiring_all.kmlyptop24.freq.27.xyz]]
|-
|-
| Zweiring 69
| Dreiring 69
   || <jmol>
   || <jmol>
   <jmolAppletButton>
   <jmolAppletButton>
     <name>Zweiring 69 </name>
     <name>Dreiring 69 </name>
     <uploadedFileContents>Zweiring_all.kmlyptop24.freq.69.xyz</uploadedFileContents>
     <uploadedFileContents>Zweiring_all.kmlyptop24.freq.69.xyz</uploadedFileContents>
     <text>3D-Popup</text>
     <text>3D-Popup</text>

Version vom 8. Juni 2009, 09:49 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    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>
   <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