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Dichtefunktionalberechnungen der PES der 21-Annulenkation - Versionsgeschichte
2026-05-21T15:42:02Z
Versionsgeschichte dieser Seite in Hergipedia
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Emucke am 25. August 2009 um 09:25 Uhr
2009-08-25T09:25:43Z
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<td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">Version vom 25. August 2009, 09:25 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> 74 -509774.5995 4.9234 220.2 001101101111001101111 Hückel</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> 74 -509774.5995 4.9234 220.2 001101101111001101111 Hückel</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> 210 -509771.8378 7.6851 220.4 001101111110011111111 Hückel</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> 210 -509771.8378 7.6851 220.4 001101111110011111111 Hückel</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;"> 1 -509269.6664 4.325930011</ins></div></td></tr>
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Emucke am 15. Juni 2009 um 11:13 Uhr
2009-06-15T11:13:46Z
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<td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">Version vom 15. Juni 2009, 11:13 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;"><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> B3LYP/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> B3LYP/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> 1 -<del style="font-weight: bold; text-decoration: none;">509999</del>.<del style="font-weight: bold; text-decoration: none;">177 </del>0 011011011011011011011 Hückel</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> 1 -<ins style="font-weight: bold; text-decoration: none;">509779</ins>.<ins style="font-weight: bold; text-decoration: none;">5229 </ins>0 <ins style="font-weight: bold; text-decoration: none;"> 219.7 </ins>011011011011011011011 Hückel</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> 1649 -<del style="font-weight: bold; text-decoration: none;">509999</del>.<del style="font-weight: bold; text-decoration: none;">0314 </del>0.<del style="font-weight: bold; text-decoration: none;">1456 </del>001101101101101100111 Möbius</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> 1649 -<ins style="font-weight: bold; text-decoration: none;">509778</ins>.<ins style="font-weight: bold; text-decoration: none;">6940 </ins>0.<ins style="font-weight: bold; text-decoration: none;">8289 220.3 </ins>001101101101101100111 Möbius</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> 4 -<del style="font-weight: bold; text-decoration: none;">509995</del>.<del style="font-weight: bold; text-decoration: none;">6306 3</del>.<del style="font-weight: bold; text-decoration: none;">5464 </del>001101101101101101111 Hückel</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> 4 -<ins style="font-weight: bold; text-decoration: none;">509775.5213 4</ins>.<ins style="font-weight: bold; text-decoration: none;">002 220</ins>.<ins style="font-weight: bold; text-decoration: none;">1 </ins>001101101101101101111 Hückel</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> 11 -<del style="font-weight: bold; text-decoration: none;">509995</del>.<del style="font-weight: bold; text-decoration: none;">4714 3</del>.<del style="font-weight: bold; text-decoration: none;">7056 </del>001101101101101101111 Hückel</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> 11 -<ins style="font-weight: bold; text-decoration: none;">509775</ins>.<ins style="font-weight: bold; text-decoration: none;">4228 4.1001 220</ins>.<ins style="font-weight: bold; text-decoration: none;">0 </ins>001101101101101101111 Hückel</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 -<del style="font-weight: bold; text-decoration: none;">509994</del>.<del style="font-weight: bold; text-decoration: none;">8302 4</del>.<del style="font-weight: bold; text-decoration: none;">3468 </del>001101101111001101111 Hückel</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 -<ins style="font-weight: bold; text-decoration: none;">509774</ins>.<ins style="font-weight: bold; text-decoration: none;">4966 5.0263 220</ins>.<ins style="font-weight: bold; text-decoration: none;">3 </ins>001101101111001101111 Hückel</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> 74 -<del style="font-weight: bold; text-decoration: none;">509994</del>.<del style="font-weight: bold; text-decoration: none;">7759 </del>4.<del style="font-weight: bold; text-decoration: none;">4011 </del>001101101111001101111 Hückel</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> 74 -<ins style="font-weight: bold; text-decoration: none;">509774</ins>.<ins style="font-weight: bold; text-decoration: none;">5995 </ins>4.<ins style="font-weight: bold; text-decoration: none;">9234 220.2 </ins>001101101111001101111 Hückel</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> 210 -<del style="font-weight: bold; text-decoration: none;">509992</del>.<del style="font-weight: bold; text-decoration: none;">2637 6</del>.<del style="font-weight: bold; text-decoration: none;">9133 </del>001101111110011111111 Hückel</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> 210 -<ins style="font-weight: bold; text-decoration: none;">509771.8378 7</ins>.<ins style="font-weight: bold; text-decoration: none;">6851 220</ins>.<ins style="font-weight: bold; text-decoration: none;">4 </ins>001101111110011111111 Hückel</div></td></tr>
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Emucke
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Emucke am 15. Juni 2009 um 08:46 Uhr
2009-06-15T08:46:13Z
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<td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">Version vom 15. Juni 2009, 08:46 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;"><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> 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> 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;">Nr E(kcal/mol) Erel(kcal/mol) ZPE CANE string Moebiusity</ins></div></td></tr>
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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> 11 -509423.1364 4.173 <del style="font-weight: bold; text-decoration: none;"> </del>228.1 001101101101101101111 Hückel</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> 4 -509423.5148 3.795 <ins style="font-weight: bold; text-decoration: none;"> </ins>228.0 001101101101101101111 Hückel</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> 1649 -509422.7536 4.555 <del style="font-weight: bold; text-decoration: none;"> </del>228.2 001101101101101100111 Möbius</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> 11 -509423.1364 4.173 <ins style="font-weight: bold; text-decoration: none;"> </ins>228.1 001101101101101101111 Hückel</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> 74 -509422.6382 4.671 <del style="font-weight: bold; text-decoration: none;"> </del>228.2 001101101111001101111 Hückel</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> 1649 -509422.7536 4.555 <ins style="font-weight: bold; text-decoration: none;"> </ins>228.2 001101101101101100111 Möbius</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> 45 -509422.5497 4.760 <del style="font-weight: bold; text-decoration: none;"> </del>228.2 001101111001101111011 Hückel</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> 74 -509422.6382 4.671 <ins style="font-weight: bold; text-decoration: none;"> </ins>228.2 001101101111001101111 Hückel</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 -509422.5340 4.775 <del style="font-weight: bold; text-decoration: none;"> </del>228.1 001101101111001101111 Hückel</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> 45 -509422.5497 4.760 <ins style="font-weight: bold; text-decoration: none;"> </ins>228.2 001101111001101111011 Hückel</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> 115 -509422.3326 4.977 <del style="font-weight: bold; text-decoration: none;"> </del>228.3 001101111001101111011 Hückel</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 -509422.5340 4.775 <ins style="font-weight: bold; text-decoration: none;"> </ins>228.1 001101101111001101111 Hückel</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> 88 -509422.1042 5.205 <del style="font-weight: bold; text-decoration: none;"> </del>228.3 001101111001111001111 Hückel</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> 115 -509422.3326 4.977 <ins style="font-weight: bold; text-decoration: none;"> </ins>228.3 001101111001101111011 Hückel</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> 210 -509420.8410 6.468 <del style="font-weight: bold; text-decoration: none;"> </del>228.4 001101111110011111111 Hückel</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> 88 -509422.1042 5.205 <ins style="font-weight: bold; text-decoration: none;"> </ins>228.3 001101111001111001111 Hückel</div></td></tr>
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Emucke
https://hergipedia.oc.uni-kiel.de/mediawiki/index.php?title=Dichtefunktionalberechnungen_der_PES_der_21-Annulenkation&diff=3500&oldid=prev
Emucke am 15. Juni 2009 um 08:41 Uhr
2009-06-15T08:41:46Z
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<td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">Version vom 15. Juni 2009, 08:41 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> 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> BH&HLYP/6-311+G** </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> </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> </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> 1 -<del style="font-weight: bold; text-decoration: none;">509654</del>.<del style="font-weight: bold; text-decoration: none;">6944 </del>0 011011011011011011011 Hückel</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> 1 -<ins style="font-weight: bold; text-decoration: none;">509427</ins>.<ins style="font-weight: bold; text-decoration: none;">3094 </ins>0 <ins style="font-weight: bold; text-decoration: none;">227.4 </ins>011011011011011011011 Hückel</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> 4 -<del style="font-weight: bold; text-decoration: none;">509651</del>.<del style="font-weight: bold; text-decoration: none;">5184 </del>3.<del style="font-weight: bold; text-decoration: none;">176 </del>001101101101101101111 Hückel</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> 4 -<ins style="font-weight: bold; text-decoration: none;">509423</ins>.<ins style="font-weight: bold; text-decoration: none;">5148 </ins>3.<ins style="font-weight: bold; text-decoration: none;">795 228.0 </ins>001101101101101101111 Hückel</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> 11 -<del style="font-weight: bold; text-decoration: none;">509651</del>.<del style="font-weight: bold; text-decoration: none;">2295 3</del>.<del style="font-weight: bold; text-decoration: none;">4649 </del>001101101101101101111 Hückel</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> 11 -<ins style="font-weight: bold; text-decoration: none;">509423</ins>.<ins style="font-weight: bold; text-decoration: none;">1364 4.173 228</ins>.<ins style="font-weight: bold; text-decoration: none;">1 </ins>001101101101101101111 Hückel</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> 1649 -<del style="font-weight: bold; text-decoration: none;">509650</del>.<del style="font-weight: bold; text-decoration: none;">9964 3</del>.<del style="font-weight: bold; text-decoration: none;">698 </del>001101101101101100111 Möbius</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> 1649 -<ins style="font-weight: bold; text-decoration: none;">509422</ins>.<ins style="font-weight: bold; text-decoration: none;">7536 4.555 228</ins>.<ins style="font-weight: bold; text-decoration: none;">2 </ins>001101101101101100111 Möbius</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> 74 -<del style="font-weight: bold; text-decoration: none;">509650</del>.<del style="font-weight: bold; text-decoration: none;">8467 3</del>.<del style="font-weight: bold; text-decoration: none;">8477 </del>001101101111001101111 Hückel</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> 74 -<ins style="font-weight: bold; text-decoration: none;">509422.6382 4</ins>.<ins style="font-weight: bold; text-decoration: none;">671 228</ins>.<ins style="font-weight: bold; text-decoration: none;">2 </ins>001101101111001101111 Hückel</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> 45 -<del style="font-weight: bold; text-decoration: none;">509650</del>.<del style="font-weight: bold; text-decoration: none;">7182 3</del>.<del style="font-weight: bold; text-decoration: none;">9762 </del>001101111001101111011 Hückel</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> 45 -<ins style="font-weight: bold; text-decoration: none;">509422.5497 4</ins>.<ins style="font-weight: bold; text-decoration: none;">760 228</ins>.<ins style="font-weight: bold; text-decoration: none;">2 </ins>001101111001101111011 Hückel</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 -<del style="font-weight: bold; text-decoration: none;">509650</del>.<del style="font-weight: bold; text-decoration: none;">6611 </del>4.<del style="font-weight: bold; text-decoration: none;">0333 </del>001101101111001101111 Hückel</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 -<ins style="font-weight: bold; text-decoration: none;">509422</ins>.<ins style="font-weight: bold; text-decoration: none;">5340 </ins>4.<ins style="font-weight: bold; text-decoration: none;">775 228.1 </ins>001101101111001101111 Hückel</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> 115 -<del style="font-weight: bold; text-decoration: none;">509650</del>.<del style="font-weight: bold; text-decoration: none;">6509 </del>4.<del style="font-weight: bold; text-decoration: none;">0435 </del>001101111001101111011 Hückel</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> 115 -<ins style="font-weight: bold; text-decoration: none;">509422</ins>.<ins style="font-weight: bold; text-decoration: none;">3326 </ins>4.<ins style="font-weight: bold; text-decoration: none;">977 228.3 </ins>001101111001101111011 Hückel</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> 88 -<del style="font-weight: bold; text-decoration: none;">509650</del>.<del style="font-weight: bold; text-decoration: none;">4225 4</del>.<del style="font-weight: bold; text-decoration: none;">2719 </del>001101111001111001111 Hückel</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> 88 -<ins style="font-weight: bold; text-decoration: none;">509422</ins>.<ins style="font-weight: bold; text-decoration: none;">1042 5.205 228</ins>.<ins style="font-weight: bold; text-decoration: none;">3 </ins>001101111001111001111 Hückel</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> 210 -<del style="font-weight: bold; text-decoration: none;">509649</del>.<del style="font-weight: bold; text-decoration: none;">2386 5</del>.<del style="font-weight: bold; text-decoration: none;">4558 </del>001101111110011111111 Hückel</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> 210 -<ins style="font-weight: bold; text-decoration: none;">509420.8410 6</ins>.<ins style="font-weight: bold; text-decoration: none;">468 228</ins>.<ins style="font-weight: bold; text-decoration: none;">4 </ins>001101111110011111111 Hückel</div></td></tr>
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Emucke
https://hergipedia.oc.uni-kiel.de/mediawiki/index.php?title=Dichtefunktionalberechnungen_der_PES_der_21-Annulenkation&diff=3499&oldid=prev
Emucke am 15. Juni 2009 um 08:18 Uhr
2009-06-15T08:18:44Z
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<td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">Version vom 15. Juni 2009, 08:18 Uhr</td>
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<tr><td colspan="2" class="diff-lineno" id="mw-diff-left-l8">Zeile 8:</td>
<td colspan="2" class="diff-lineno">Zeile 15:</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> 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> BH&HLYP/6-311+G** </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;"> 1 -509654.6944 0 011011011011011011011 Hückel</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;"> 4 -509651.5184 3.176 001101101101101101111 Hückel</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;"> 11 -509651.2295 3.4649 001101101101101101111 Hückel</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;"> 1649 -509650.9964 3.698 001101101101101100111 Möbius</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;"> 74 -509650.8467 3.8477 001101101111001101111 Hückel</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;"> 45 -509650.7182 3.9762 001101111001101111011 Hückel</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 -509650.6611 4.0333 001101101111001101111 Hückel</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;"> 115 -509650.6509 4.0435 001101111001101111011 Hückel</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;"> 88 -509650.4225 4.2719 001101111001111001111 Hückel</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;"> 210 -509649.2386 5.4558 001101111110011111111 Hückel</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;"><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>
<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> B3LYP/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> B3LYP/6-311+G**</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;"> 1 -509999.177 0 011011011011011011011 Hückel</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;"> 1649 -509999.0314 0.1456 001101101101101100111 Möbius</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;"> 4 -509995.6306 3.5464 001101101101101101111 Hückel</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;"> 11 -509995.4714 3.7056 001101101101101101111 Hückel</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 -509994.8302 4.3468 001101101111001101111 Hückel</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;"> 74 -509994.7759 4.4011 001101101111001101111 Hückel</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;"> 210 -509992.2637 6.9133 001101111110011111111 Hückel</ins></div></td></tr>
</table>
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https://hergipedia.oc.uni-kiel.de/mediawiki/index.php?title=Dichtefunktionalberechnungen_der_PES_der_21-Annulenkation&diff=3497&oldid=prev
Emucke: Die Seite wurde neu angelegt: „ KMLYP/6-311+G** BH&HLYP/6-311+G** B3LYP/6-311+G**“
2009-06-15T08:10:59Z
<p>Die Seite wurde neu angelegt: „ KMLYP/6-311+G** BH&HLYP/6-311+G** B3LYP/6-311+G**“</p>
<p><b>Neue Seite</b></p><div> <br />
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KMLYP/6-311+G**<br />
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BH&HLYP/6-311+G** <br />
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B3LYP/6-311+G**</div>
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