https://hergipedia.oc.uni-kiel.de/mediawiki/index.php?action=history&feed=atom&title=Dichtefunktionalrechnungen_der_Potentialhyperfl%C3%A4che_der_10-Annulendikation
Dichtefunktionalrechnungen der Potentialhyperfläche der 10-Annulendikation - Versionsgeschichte
2026-05-19T22:20:02Z
Versionsgeschichte dieser Seite in Hergipedia
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https://hergipedia.oc.uni-kiel.de/mediawiki/index.php?title=Dichtefunktionalrechnungen_der_Potentialhyperfl%C3%A4che_der_10-Annulendikation&diff=4085&oldid=prev
Emucke am 24. August 2009 um 09:08 Uhr
2009-08-24T09:08:06Z
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<td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">Version vom 24. August 2009, 09:08 Uhr</td>
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<tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div> 64</div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div> 64 <ins style="font-weight: bold; text-decoration: none;"> -241918.6638 0</ins></div></td></tr>
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<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>CCSD(T)/cc-pVTZ//BH&HLYP/cc-pVTZ</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>CCSD(T)/cc-pVTZ//BH&HLYP/cc-pVTZ</div></td></tr>
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Emucke
https://hergipedia.oc.uni-kiel.de/mediawiki/index.php?title=Dichtefunktionalrechnungen_der_Potentialhyperfl%C3%A4che_der_10-Annulendikation&diff=4084&oldid=prev
Emucke am 24. August 2009 um 09:03 Uhr
2009-08-24T09:03:21Z
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<td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">Version vom 24. August 2009, 09:03 Uhr</td>
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Emucke
https://hergipedia.oc.uni-kiel.de/mediawiki/index.php?title=Dichtefunktionalrechnungen_der_Potentialhyperfl%C3%A4che_der_10-Annulendikation&diff=4083&oldid=prev
Emucke am 24. August 2009 um 09:00 Uhr
2009-08-24T09:00:57Z
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<td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">Version vom 24. August 2009, 09:00 Uhr</td>
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Emucke
https://hergipedia.oc.uni-kiel.de/mediawiki/index.php?title=Dichtefunktionalrechnungen_der_Potentialhyperfl%C3%A4che_der_10-Annulendikation&diff=4082&oldid=prev
Emucke am 24. August 2009 um 08:53 Uhr
2009-08-24T08:53:51Z
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<td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">Version vom 24. August 2009, 08:53 Uhr</td>
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<tr><td colspan="2" class="diff-side-deleted"></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins style="font-weight: bold; text-decoration: none;"></ins></div></td></tr>
<tr><td colspan="2" class="diff-side-deleted"></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins style="font-weight: bold; text-decoration: none;"> 64 -241916.2719 0</ins></div></td></tr>
<tr><td colspan="2" class="diff-side-deleted"></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins style="font-weight: bold; text-decoration: none;"> 54 -241907.1889 9.083 </ins></div></td></tr>
<tr><td colspan="2" class="diff-side-deleted"></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins style="font-weight: bold; text-decoration: none;"> 217 -241920.1949 -3.92</ins></div></td></tr>
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Emucke
https://hergipedia.oc.uni-kiel.de/mediawiki/index.php?title=Dichtefunktionalrechnungen_der_Potentialhyperfl%C3%A4che_der_10-Annulendikation&diff=4081&oldid=prev
Emucke am 24. August 2009 um 08:50 Uhr
2009-08-24T08:50:51Z
<p></p>
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<td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">Version vom 24. August 2009, 08:50 Uhr</td>
</tr><tr><td colspan="2" class="diff-lineno" id="mw-diff-left-l49">Zeile 49:</td>
<td colspan="2" class="diff-lineno">Zeile 49:</td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div> '''404''' -242313.5100 30.00 103.2 Hückel - - 0000101101 C1</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div> '''404''' -242313.5100 30.00 103.2 Hückel - - 0000101101 C1</div></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div> '''344''' -242310.3932 33.126 103.8 Hückel - - 0000000101 C2</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div> '''344''' -242310.3932 33.126 103.8 Hückel - - 0000000101 C2</div></td></tr>
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<tr><td colspan="2" class="diff-side-deleted"></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins style="font-weight: bold; text-decoration: none;"></ins></div></td></tr>
<tr><td colspan="2" class="diff-side-deleted"></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins style="font-weight: bold; text-decoration: none;"> B2PLYP/6-311+G**</ins></div></td></tr>
<tr><td colspan="2" class="diff-side-deleted"></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins style="font-weight: bold; text-decoration: none;"></ins></div></td></tr>
<tr><td colspan="2" class="diff-side-deleted"></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins style="font-weight: bold; text-decoration: none;"> 64 -242221.0511 0</ins></div></td></tr>
<tr><td colspan="2" class="diff-side-deleted"></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins style="font-weight: bold; text-decoration: none;"> 54 -242214.0971 6.954</ins></div></td></tr>
<tr><td colspan="2" class="diff-side-deleted"></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins style="font-weight: bold; text-decoration: none;"> 217</ins></div></td></tr>
</table>
Emucke
https://hergipedia.oc.uni-kiel.de/mediawiki/index.php?title=Dichtefunktionalrechnungen_der_Potentialhyperfl%C3%A4che_der_10-Annulendikation&diff=3695&oldid=prev
Emucke am 13. Juli 2009 um 09:24 Uhr
2009-07-13T09:24:38Z
<p></p>
<table style="background-color: #fff; color: #202122;" data-mw="interface">
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<td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">← Nächstältere Version</td>
<td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">Version vom 13. Juli 2009, 09:24 Uhr</td>
</tr><tr><td colspan="2" class="diff-lineno" id="mw-diff-left-l23">Zeile 23:</td>
<td colspan="2" class="diff-lineno">Zeile 23:</td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div> lognumber E(kcal/mol) Erel(kcal/mol) ZPE Top. CANE string HOMA AJ NICS</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div> lognumber E(kcal/mol) Erel(kcal/mol) ZPE Top. CANE string HOMA AJ NICS</div></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br></td></tr>
<tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div> '''64''' -242178.2962 0 107.5 Möbius - - 0000000001 C2 0.8569 0.9492 </div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div> '''64''' -242178.2962 0 107.5 Möbius - - 0000000001 C2 <ins style="font-weight: bold; text-decoration: none;"> </ins>0.8569 0.9492 <ins style="font-weight: bold; text-decoration: none;">-11.9128</ins></div></td></tr>
<tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div> '''217''' -242172.9617 5.334 107.3 Hückel - - 0000100001 C2 0.4251 0.813 </div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div> '''217''' -242172.9617 5.334 107.3 Hückel - - 0000100001 C2 <ins style="font-weight: bold; text-decoration: none;"> </ins>0.4251 0.813 <ins style="font-weight: bold; text-decoration: none;">-8.9460</ins></div></td></tr>
<tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div> '''54''' -242176.8755 1.421 106.7 Hückel 1 105i 0000100001 D2 0.4827 0.7818 </div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div> '''54''' -242176.8755 1.421 106.7 Hückel 1 105i 0000100001 D2 <ins style="font-weight: bold; text-decoration: none;"> </ins>0.4827 0.7818 <ins style="font-weight: bold; text-decoration: none;"> 0.4826</ins></div></td></tr>
<tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div> '''7''' -242173.9952 4.301 106.8 Hückel 1 113i 0000000000 CS 0.4938 0.7865 </div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div> '''7''' -242173.9952 4.301 106.8 Hückel 1 113i 0000000000 CS <ins style="font-weight: bold; text-decoration: none;"> </ins>0.4938 0.7865 <ins style="font-weight: bold; text-decoration: none;">-1.1893</ins></div></td></tr>
<tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div> '''566''' -242154.5726 23.724 106.3 Möbius - - 0001011011 C1 0.3932 0.7594 </div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div> '''566''' -242154.5726 23.724 106.3 Möbius - - 0001011011 C1 <ins style="font-weight: bold; text-decoration: none;"> </ins>0.3932 0.7594 <ins style="font-weight: bold; text-decoration: none;">-3.2402 </ins></div></td></tr>
<tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div> '''6''' -242151.8379 26.458 106.6 Hückel 1 123i 0000000011 CS 0.3827 0.7438</div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div> '''6''' -242151.8379 26.458 106.6 Hückel 1 123i 0000000011 CS <ins style="font-weight: bold; text-decoration: none;"> </ins>0.3827 0.7438 <ins style="font-weight: bold; text-decoration: none;"> 12.0696</ins></div></td></tr>
<tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div> '''605''' -242148.2378 30.058 107.4 Hückel - - 0001101111 C2 0.9182 0.9811</div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div> '''605''' -242148.2378 30.058 107.4 Hückel - - 0001101111 C2 <ins style="font-weight: bold; text-decoration: none;"> </ins>0.9182 0.9811 <ins style="font-weight: bold; text-decoration: none;"> </ins></div></td></tr>
<tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div> '''668''' -242146.7249 31.571 107.5 Möbius - - 0011011111 C1 0.8229 0.9536</div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div> '''668''' -242146.7249 31.571 107.5 Möbius - - 0011011111 C1 <ins style="font-weight: bold; text-decoration: none;"> </ins>0.8229 0.9536</div></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div> '''404''' -242201.4450 109.0 Hückel - - 0000101101 C1 </div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div> '''404''' -242201.4450 109.0 Hückel - - 0000101101 C1 </div></td></tr>
<tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div> '''344''' -242142.9461 35.350 107.4 Hückel - - 0000000101 C2 0.7863 0.9218</div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div> '''344''' -242142.9461 35.350 107.4 Hückel - - 0000000101 C2 <ins style="font-weight: bold; text-decoration: none;"> </ins>0.7863 0.9218</div></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br></td></tr>
</table>
Emucke
https://hergipedia.oc.uni-kiel.de/mediawiki/index.php?title=Dichtefunktionalrechnungen_der_Potentialhyperfl%C3%A4che_der_10-Annulendikation&diff=3681&oldid=prev
Emucke am 10. Juli 2009 um 09:15 Uhr
2009-07-10T09:15:08Z
<p></p>
<table style="background-color: #fff; color: #202122;" data-mw="interface">
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<td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">← Nächstältere Version</td>
<td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">Version vom 10. Juli 2009, 09:15 Uhr</td>
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<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div> lognumber E(kcal/mol) Erel(kcal/mol) ZPE Top. CANE string HOMA AJ NICS</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div> lognumber E(kcal/mol) Erel(kcal/mol) ZPE Top. CANE string HOMA AJ NICS</div></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br></td></tr>
<tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div> '''64''' -242178.2962 0 107.5 Möbius - - 0000000001 C2 0.8569 0.9492 <del style="font-weight: bold; text-decoration: none;">0.3513</del></div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div> '''64''' -242178.2962 0 107.5 Möbius - - 0000000001 C2 0.8569 0.9492 </div></td></tr>
<tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div> '''217''' -242172.9617 5.334 107.3 Hückel - - 0000100001 C2 0.4251 0.813 <del style="font-weight: bold; text-decoration: none;">-14.6829</del></div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div> '''217''' -242172.9617 5.334 107.3 Hückel - - 0000100001 C2 0.4251 0.813 </div></td></tr>
<tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div> '''54''' -242176.8755 1.421 106.7 Hückel 1 105i 0000100001 D2 0.4827 0.7818 <del style="font-weight: bold; text-decoration: none;">7.2333</del></div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div> '''54''' -242176.8755 1.421 106.7 Hückel 1 105i 0000100001 D2 0.4827 0.7818 </div></td></tr>
<tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div> '''7''' -242173.9952 4.301 106.8 Hückel 1 113i 0000000000 CS 0.4938 0.7865 <del style="font-weight: bold; text-decoration: none;">15.7027</del></div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div> '''7''' -242173.9952 4.301 106.8 Hückel 1 113i 0000000000 CS 0.4938 0.7865 </div></td></tr>
<tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div> '''566''' -242154.5726 23.724 106.3 Möbius - - 0001011011 C1 0.3932 0.7594 <del style="font-weight: bold; text-decoration: none;">-3.5210</del></div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div> '''566''' -242154.5726 23.724 106.3 Möbius - - 0001011011 C1 0.3932 0.7594 </div></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div> '''6''' -242151.8379 26.458 106.6 Hückel 1 123i 0000000011 CS 0.3827 0.7438</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div> '''6''' -242151.8379 26.458 106.6 Hückel 1 123i 0000000011 CS 0.3827 0.7438</div></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div> '''605''' -242148.2378 30.058 107.4 Hückel - - 0001101111 C2 0.9182 0.9811</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div> '''605''' -242148.2378 30.058 107.4 Hückel - - 0001101111 C2 0.9182 0.9811</div></td></tr>
</table>
Emucke
https://hergipedia.oc.uni-kiel.de/mediawiki/index.php?title=Dichtefunktionalrechnungen_der_Potentialhyperfl%C3%A4che_der_10-Annulendikation&diff=3680&oldid=prev
Emucke am 10. Juli 2009 um 09:10 Uhr
2009-07-10T09:10:36Z
<p></p>
<table style="background-color: #fff; color: #202122;" data-mw="interface">
<col class="diff-marker" />
<col class="diff-content" />
<col class="diff-marker" />
<col class="diff-content" />
<tr class="diff-title" lang="de">
<td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">← Nächstältere Version</td>
<td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">Version vom 10. Juli 2009, 09:10 Uhr</td>
</tr><tr><td colspan="2" class="diff-lineno" id="mw-diff-left-l23">Zeile 23:</td>
<td colspan="2" class="diff-lineno">Zeile 23:</td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div> lognumber E(kcal/mol) Erel(kcal/mol) ZPE Top. CANE string HOMA AJ NICS</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div> lognumber E(kcal/mol) Erel(kcal/mol) ZPE Top. CANE string HOMA AJ NICS</div></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br></td></tr>
<tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div> '''64''' -242178.2962 0 107.5 Möbius - - 0000000001 C2 0.8569 0.9492 </div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div> '''64''' -242178.2962 0 107.5 Möbius - - 0000000001 C2 0.8569 0.9492 <ins style="font-weight: bold; text-decoration: none;">0.3513</ins></div></td></tr>
<tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div> '''217''' -242172.9617 5.334 107.3 Hückel - - 0000100001 C2 0.4251 0.813</div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div> '''217''' -242172.9617 5.334 107.3 Hückel - - 0000100001 C2 0.4251 0.813 <ins style="font-weight: bold; text-decoration: none;"> -14.6829</ins></div></td></tr>
<tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div> '''54''' -242176.8755 1.421 106.7 Hückel 1 105i 0000100001 D2 0.4827 0.7818</div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div> '''54''' -242176.8755 1.421 106.7 Hückel 1 105i 0000100001 D2 0.4827 0.7818 <ins style="font-weight: bold; text-decoration: none;">7.2333</ins></div></td></tr>
<tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div> '''7''' -242173.9952 4.301 106.8 Hückel 1 113i 0000000000 CS 0.4938 0.7865</div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div> '''7''' -242173.9952 4.301 106.8 Hückel 1 113i 0000000000 CS 0.4938 0.7865 <ins style="font-weight: bold; text-decoration: none;">15.7027</ins></div></td></tr>
<tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div> '''566''' -242154.5726 23.724 106.3 Möbius - - 0001011011 C1 0.3932 0.7594</div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div> '''566''' -242154.5726 23.724 106.3 Möbius - - 0001011011 C1 0.3932 0.7594 <ins style="font-weight: bold; text-decoration: none;">-3.5210</ins></div></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div> '''6''' -242151.8379 26.458 106.6 Hückel 1 123i 0000000011 CS 0.3827 0.7438</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div> '''6''' -242151.8379 26.458 106.6 Hückel 1 123i 0000000011 CS 0.3827 0.7438</div></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div> '''605''' -242148.2378 30.058 107.4 Hückel - - 0001101111 C2 0.9182 0.9811</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div> '''605''' -242148.2378 30.058 107.4 Hückel - - 0001101111 C2 0.9182 0.9811</div></td></tr>
</table>
Emucke
https://hergipedia.oc.uni-kiel.de/mediawiki/index.php?title=Dichtefunktionalrechnungen_der_Potentialhyperfl%C3%A4che_der_10-Annulendikation&diff=3679&oldid=prev
Emucke am 10. Juli 2009 um 09:06 Uhr
2009-07-10T09:06:50Z
<p></p>
<table style="background-color: #fff; color: #202122;" data-mw="interface">
<col class="diff-marker" />
<col class="diff-content" />
<col class="diff-marker" />
<col class="diff-content" />
<tr class="diff-title" lang="de">
<td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">← Nächstältere Version</td>
<td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">Version vom 10. Juli 2009, 09:06 Uhr</td>
</tr><tr><td colspan="2" class="diff-lineno" id="mw-diff-left-l21">Zeile 21:</td>
<td colspan="2" class="diff-lineno">Zeile 21:</td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div> Berechnungen auf BH&HLYP/6-311+G**</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div> Berechnungen auf BH&HLYP/6-311+G**</div></td></tr>
<tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div> </div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div> <ins style="font-weight: bold; text-decoration: none;">lognumber E(kcal/mol) Erel(kcal/mol) ZPE Top. CANE string HOMA AJ NICS</ins></div></td></tr>
<tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div> '''64''' -242178.2962 0 107.5 Möbius - - 0000000001 C2</div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div> </div></td></tr>
<tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div> '''217''' -242172.9617 5.334 107.3 Hückel - - 0000100001 C2</div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div> '''64''' -242178.2962 0 107.5 Möbius - - 0000000001 C2 <ins style="font-weight: bold; text-decoration: none;">0.8569 0.9492 </ins></div></td></tr>
<tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div> '''54''' -242176.8755 1.421 106.7 Hückel 1 105i 0000100001 D2</div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div> '''217''' -242172.9617 5.334 107.3 Hückel - - 0000100001 C2 <ins style="font-weight: bold; text-decoration: none;">0.4251 0.813</ins></div></td></tr>
<tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div> '''7''' -242173.9952 4.301 106.8 Hückel 1 113i 0000000000 CS</div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div> '''54''' -242176.8755 1.421 106.7 Hückel 1 105i 0000100001 D2 <ins style="font-weight: bold; text-decoration: none;">0.4827 0.7818</ins></div></td></tr>
<tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div> '''566''' -242154.5726 23.724 106.3 Möbius - - 0001011011 C1</div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div> '''7''' -242173.9952 4.301 106.8 Hückel 1 113i 0000000000 CS <ins style="font-weight: bold; text-decoration: none;">0.4938 0.7865</ins></div></td></tr>
<tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div> '''6''' -242151.8379 26.458 106.6 Hückel 1 123i 0000000011 CS</div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div> '''566''' -242154.5726 23.724 106.3 Möbius - - 0001011011 C1 <ins style="font-weight: bold; text-decoration: none;">0.3932 0.7594</ins></div></td></tr>
<tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div> '''605''' -242148.2378 30.058 107.4 Hückel - - 0001101111 C2</div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div> '''6''' -242151.8379 26.458 106.6 Hückel 1 123i 0000000011 CS <ins style="font-weight: bold; text-decoration: none;">0.3827 0.7438</ins></div></td></tr>
<tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div> '''668''' -242146.7249 31.571 107.5 Möbius - - 0011011111 C1</div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div> '''605''' -242148.2378 30.058 107.4 Hückel - - 0001101111 C2 <ins style="font-weight: bold; text-decoration: none;">0.9182 0.9811</ins></div></td></tr>
<tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div> '''404''' -242201.4450 <del style="font-weight: bold; text-decoration: none;"> </del>109.<del style="font-weight: bold; text-decoration: none;">0Hückel </del>- - 0000101101 C1</div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div> '''668''' -242146.7249 31.571 107.5 Möbius - - 0011011111 C1 <ins style="font-weight: bold; text-decoration: none;">0.8229 0.9536</ins></div></td></tr>
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Emucke
https://hergipedia.oc.uni-kiel.de/mediawiki/index.php?title=Dichtefunktionalrechnungen_der_Potentialhyperfl%C3%A4che_der_10-Annulendikation&diff=3454&oldid=prev
Emucke am 9. Juni 2009 um 09:25 Uhr
2009-06-09T09:25:14Z
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<td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">Version vom 9. Juni 2009, 09:25 Uhr</td>
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Emucke