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Polyzyklen der 14-Annulenkationen - Versionsgeschichte
2026-05-18T19:48:26Z
Versionsgeschichte dieser Seite in Hergipedia
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Emucke am 25. August 2009 um 08:47 Uhr
2009-08-25T08:47:49Z
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<td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">Version vom 25. August 2009, 08:47 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> 127 -339514.9857 146.6138296 11.7243875 00110011011011 HUECKEL 0.6176 0.869</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> 127 -339514.9857 146.6138296 11.7243875 00110011011011 HUECKEL 0.6176 0.869</div></td></tr>
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Emucke
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Emucke am 13. Juli 2009 um 14:40 Uhr
2009-07-13T14:40:02Z
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<td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">Version vom 13. Juli 2009, 14:40 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> 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"></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> E(kcal/mol) ZPE Erel(kcal/mol) CANE string Moebiusity HOMA AJ</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> E(kcal/mol) ZPE Erel(kcal/mol) CANE string Moebiusity HOMA AJ</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> lognumber E(kcal/mol) ZPE Erel(kcal/mol) CANE string Moebiusity HOMA AJ</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> lognumber E(kcal/mol) ZPE Erel(kcal/mol) CANE string Moebiusity HOMA AJ <ins style="font-weight: bold; text-decoration: none;"> 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> '''15''' -339293.0871 151.9087548 0 00010001100011 MOEBIUS 0.9786 0.9938</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> '''15''' -339293.0871 151.9087548 0 <ins style="font-weight: bold; text-decoration: none;"> </ins>00010001100011 MOEBIUS 0.9786 0.9938 <ins style="font-weight: bold; text-decoration: none;"> -15.6111</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> '''43''' -339290.3449 152.2344322 2.742216515 00011110001111 HUECKEL 0.6756 0.8614</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> '''43''' -339290.3449 152.2344322 2.742216515 00011110001111 HUECKEL 0.6756 0.8614 <ins style="font-weight: bold; text-decoration: none;"> 0.3368</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> '''236''' -339290.6166 151.8202759 2.470504901 00001000110011 MOEBIUS 0.9705 0.9904</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> '''236''' -339290.6166 151.8202759 2.470504901 00001000110011 MOEBIUS 0.9705 0.9904 <ins style="font-weight: bold; text-decoration: none;"> -13.2633</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> '''2078''' -339290.2118 152.0988902 2.875248529 00110110011011 HUECKEL 0.6153 0.8376</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> '''2078''' -339290.2118 152.0988902 2.875248529 00110110011011 HUECKEL 0.6153 0.8376 <ins style="font-weight: bold; text-decoration: none;"> 13.7689</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> '''470''' -339289.3873 151.4776558 3.699796012 00011001100111 MOEBIUS 0.9583 0.9855</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> '''470''' -339289.3873 151.4776558 3.699796012 00011001100111 MOEBIUS 0.9583 0.9855 <ins style="font-weight: bold; text-decoration: none;"> -15.3632</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> '''1''' -339289.103 151.5667621 3.984057815 00110110011011 HUECKEL 0.635 0.8464</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> '''1''' -339289.103 151.5667621 3.984057815 00110110011011 HUECKEL 0.635 0.8464</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> '''71''' -339285.6316 152.023589 7.455440369 00011011001111 HUECKEL 0.6389 0.8468</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> '''71''' -339285.6316 152.023589 7.455440369 00011011001111 HUECKEL 0.6389 0.8468</div></td></tr>
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Emucke
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Emucke am 18. Juni 2009 um 12:38 Uhr
2009-06-18T12:38:18Z
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<td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">Version vom 18. Juni 2009, 12:38 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> '''236''' -338798.6403 152.8274287 2.716488626 00001000110011 MOEBIUS 0.9799 0.9894 13.3351</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> '''236''' -338798.6403 152.8274287 2.716488626 00001000110011 MOEBIUS 0.9799 0.9894 13.3351</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> '''2078''' -338797.5359 153.0395269 3.820905345 00110110011011 HUECKEL 0.6581 0.845 -13.8757</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> '''2078''' -338797.5359 153.0395269 3.820905345 00110110011011 HUECKEL 0.6581 0.845 -13.8757</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><del style="font-weight: bold; text-decoration: none;"> </del>'''470''' -338797.1086 152.5092814 4.248239315 00011001100111 MOEBIUS 0.9601 0.9807 15.4181</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;"> </ins>'''470''' -338797.1086 152.5092814 4.248239315 00011001100111 MOEBIUS 0.9601 0.9807 15.4181</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> '''1''' -338796.6091 152.4904561 4.747736877 00110110011011 HUECKEL 0.6713 0.8509 -21.1762</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> '''1''' -338796.6091 152.4904561 4.747736877 00110110011011 HUECKEL 0.6713 0.8509 -21.1762</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> '''71''' -338793.3624 152.9679908 7.99447103 00011011001111 HUECKEL 0.6803 0.8548 -10.2863</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> '''71''' -338793.3624 152.9679908 7.99447103 00011011001111 HUECKEL 0.6803 0.8548 -10.2863</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> Berechnungen auf B3LYP</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 B3LYP</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;"> lognumber E(kcal/mol) ZPE Erel(kcal/mol) CANE string Moebiusity HOMA AJ</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;"> 15 -339526.7101 147.0593614 0 00010001100011 MOEBIUS 0.9372 0.9958</ins></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;"> 470 -339523.6805 146.5962594 3.029615866 00011001100111 MOEBIUS 0.9377 0.997</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;"> 43 -339520.681 146.9871978 6.029111276 00011110001111 HUECKEL 0.7134 0.9037</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;"> 2078 -339519.9638 146.7468616 6.746354635 00110110011011 HUECKEL 0.6638 0.8871</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;"> 1006 -339519.1493 146.8648334 7.560861966 00101100110011 MOEBIUS 0.9024 0.9855</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 -339519.4442 146.2680719 7.2659325 00110110011011 HUECKEL 0.6729 0.891</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;"> 758 -339517.8183 146.5040155 8.891809615 00011001110011 MOEBIUS 0.9283 0.9956</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;"> 1058 -339517.3998 146.906249 9.310358452 00001001100011 MOEBIUS 0.9139 0.9884</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;"> 1151 -339517.5002 146.5931218 9.209956932 00110110011111 MOEBIUS 0.8811 0.9775</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;"> 951 -339517.1839 146.7669419 9.52622172 00010110011011 MOEBIUS 0.9074 0.9892</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;"> 71 -339515.9151 146.734939 10.79504593 00011011001111 HUECKEL 0.6811 0.8928</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;"> 1388 -339515.6296 146.9068766 11.08056275 00100110011011 MOEBIUS 0.8209 0.9532</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;"> 155 -339515.1922 146.702936 11.51793687 00110011001111 HUECKEL 0.6663 0.8893</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;"> 127 -339514.9857 146.6138296 11.7243875 00110011011011 HUECKEL 0.6176 0.869</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;"> 57 -339513.3228 146.3634533 13.38728767 00110110011011 HUECKEL 0.5801 0.8553</ins></div></td></tr>
</table>
Emucke
https://hergipedia.oc.uni-kiel.de/mediawiki/index.php?title=Polyzyklen_der_14-Annulenkationen&diff=3523&oldid=prev
Emucke am 18. Juni 2009 um 12:32 Uhr
2009-06-18T12:32:00Z
<p></p>
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<td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">Version vom 18. Juni 2009, 12:32 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> '''1058''' -339283.3387 151.9683682 9.748360082 00001001100011 MOEBIUS 0.8531 0.9394</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> '''1058''' -339283.3387 151.9683682 9.748360082 00001001100011 MOEBIUS 0.8531 0.9394</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> '''57''' -339283.4253 151.6433183 9.661763771 00110110011011 HUECKEL 0.5099 0.7938</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> '''57''' -339283.4253 151.6433183 9.661763771 00110110011011 HUECKEL 0.5099 0.7938</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;"> Berechnungen auf B3LYP</ins></div></td></tr>
</table>
Emucke
https://hergipedia.oc.uni-kiel.de/mediawiki/index.php?title=Polyzyklen_der_14-Annulenkationen&diff=3522&oldid=prev
Emucke am 18. Juni 2009 um 12:31 Uhr
2009-06-18T12:31:03Z
<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;">Version vom 18. Juni 2009, 12:31 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> lognumber E(kcal/mol) ZPE Erel(kcal/mol) CANE string Moebiusity 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) ZPE Erel(kcal/mol) CANE string Moebiusity HOMA AJ NICS</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> 15 -338801.3568 152.9598332 0 00010001100011 MOEBIUS 0.9941 0.9957 16.0762</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;">'''</ins>15<ins style="font-weight: bold; text-decoration: none;">''' </ins>-338801.3568 152.9598332 0 00010001100011 MOEBIUS 0.9941 0.9957 16.0762</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> 43 -338798.9397 153.1913842 2.417166594 00011110001111 HUECKEL 0.7152 0.8702 1.1628</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;">'''</ins>43<ins style="font-weight: bold; text-decoration: none;">''' </ins>-338798.9397 153.1913842 2.417166594 00011110001111 HUECKEL 0.7152 0.8702 1.1628</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> 236 -338798.6403 152.8274287 2.716488626 00001000110011 MOEBIUS 0.9799 0.9894 13.3351</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;">'''</ins>236<ins style="font-weight: bold; text-decoration: none;">''' </ins>-338798.6403 152.8274287 2.716488626 00001000110011 MOEBIUS 0.9799 0.9894 13.3351</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> 2078 -338797.5359 153.0395269 3.820905345 00110110011011 HUECKEL 0.6581 0.845 -13.8757</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;">'''</ins>2078<ins style="font-weight: bold; text-decoration: none;">''' </ins>-338797.5359 153.0395269 3.820905345 00110110011011 HUECKEL 0.6581 0.845 -13.8757</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> 470 -338797.1086 152.5092814 4.248239315 00011001100111 MOEBIUS 0.9601 0.9807 15.4181</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;">'''</ins>470<ins style="font-weight: bold; text-decoration: none;">''' </ins>-338797.1086 152.5092814 4.248239315 00011001100111 MOEBIUS 0.9601 0.9807 15.4181</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 -338796.6091 152.4904561 4.747736877 00110110011011 HUECKEL 0.6713 0.8509 -21.1762</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;">'''</ins>1<ins style="font-weight: bold; text-decoration: none;">''' </ins>-338796.6091 152.4904561 4.747736877 00110110011011 HUECKEL 0.6713 0.8509 -21.1762</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> 71 -338793.3624 152.9679908 7.99447103 00011011001111 HUECKEL 0.6803 0.8548 -10.2863</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;">'''</ins>71<ins style="font-weight: bold; text-decoration: none;">''' </ins>-338793.3624 152.9679908 7.99447103 00011011001111 HUECKEL 0.6803 0.8548 -10.2863</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> 1006 -338793.3172 152.9366153 8.039651714 00101100110011 MOEBIUS 0.8799 0.9451 11.3239</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;">'''</ins>1006<ins style="font-weight: bold; text-decoration: none;">''' </ins>-338793.3172 152.9366153 8.039651714 00101100110011 MOEBIUS 0.8799 0.9451 11.3239</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> 155 -338792.6708 153.0250942 8.685986499 00110011001111 HUECKEL 0.6664 0.8488 -14.133</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;">'''</ins>155<ins style="font-weight: bold; text-decoration: none;">''' </ins>-338792.6708 153.0250942 8.685986499 00110011001111 HUECKEL 0.6664 0.8488 -14.133</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> 127 -338792.5265 152.9297127 8.830313684 00110011011011 HUECKEL 0.6086 0.8226 -8.377</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;">'''</ins>127<ins style="font-weight: bold; text-decoration: none;">''' </ins>-338792.5265 152.9297127 8.830313684 00110011011011 HUECKEL 0.6086 0.8226 -8.377</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> 1388 -338791.3945 152.9987388 9.962340822 00100110011011 MOEBIUS 0.6987 0.8634 3.9942</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;">'''</ins>1388<ins style="font-weight: bold; text-decoration: none;">''' </ins>-338791.3945 152.9987388 9.962340822 00100110011011 MOEBIUS 0.6987 0.8634 3.9942</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> 1058 -338790.8391 152.9598332 10.51768673 00001001100011 MOEBIUS 0.8715 0.9409 10.8632</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;">'''</ins>1058<ins style="font-weight: bold; text-decoration: none;">''' </ins>-338790.8391 152.9598332 10.51768673 00001001100011 MOEBIUS 0.8715 0.9409 10.8632</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> 57 -338790.7632 152.4691208 10.59361538 00110110011011 HUECKEL 0.555 0.7986 -4.4098</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;">'''</ins>57<ins style="font-weight: bold; text-decoration: none;">''' </ins>-338790.7632 152.4691208 10.59361538 00110110011011 HUECKEL 0.555 0.7986 -4.4098</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> 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 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;"> E(kcal/mol) ZPE Erel(kcal/mol) CANE string Moebiusity HOMA AJ</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;"> lognumber E(kcal/mol) ZPE Erel(kcal/mol) CANE string Moebiusity HOMA AJ</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;"> '''15''' -339293.0871 151.9087548 0 00010001100011 MOEBIUS 0.9786 0.9938</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;"> '''43''' -339290.3449 152.2344322 2.742216515 00011110001111 HUECKEL 0.6756 0.8614</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;"> '''236''' -339290.6166 151.8202759 2.470504901 00001000110011 MOEBIUS 0.9705 0.9904</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;"> '''2078''' -339290.2118 152.0988902 2.875248529 00110110011011 HUECKEL 0.6153 0.8376</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;"> '''470''' -339289.3873 151.4776558 3.699796012 00011001100111 MOEBIUS 0.9583 0.9855</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''' -339289.103 151.5667621 3.984057815 00110110011011 HUECKEL 0.635 0.8464</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;"> '''71''' -339285.6316 152.023589 7.455440369 00011011001111 HUECKEL 0.6389 0.8468</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;"> '''1006''' -339285.5896 151.9313451 7.497483506 00101100110011 MOEBIUS 0.8684 0.9476</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;"> '''155''' -339285.3405 152.0731623 7.746604778 00110011001111 HUECKEL 0.6217 0.8411</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;"> '''127''' -339285.3957 151.959583 7.691383942 00110011011011 HUECKEL 0.561 0.8147</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;"> '''1388''' -339283.9192 152.0097838 9.167913795 00100110011011 MOEBIUS 0.6551 0.8554</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;"> '''1058''' -339283.3387 151.9683682 9.748360082 00001001100011 MOEBIUS 0.8531 0.9394</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;"> '''57''' -339283.4253 151.6433183 9.661763771 00110110011011 HUECKEL 0.5099 0.7938</ins></div></td></tr>
</table>
Emucke
https://hergipedia.oc.uni-kiel.de/mediawiki/index.php?title=Polyzyklen_der_14-Annulenkationen&diff=3521&oldid=prev
Emucke am 18. Juni 2009 um 12:23 Uhr
2009-06-18T12:23:08Z
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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 18. Juni 2009, 12:23 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> 1058 -338790.8391 152.9598332 10.51768673 00001001100011 MOEBIUS 0.8715 0.9409 10.8632</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> 1058 -338790.8391 152.9598332 10.51768673 00001001100011 MOEBIUS 0.8715 0.9409 10.8632</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> 57 -338790.7632 152.4691208 10.59361538 00110110011011 HUECKEL 0.555 0.7986 -4.4098</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> 57 -338790.7632 152.4691208 10.59361538 00110110011011 HUECKEL 0.555 0.7986 -4.4098</div></td></tr>
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2009-06-18T12:22:48Z
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Berechnungen auf KMLYP/6-311+G**<br />
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lognumber E(kcal/mol) ZPE Erel(kcal/mol) CANE string Moebiusity HOMA AJ NICS<br />
15 -338801.3568 152.9598332 0 00010001100011 MOEBIUS 0.9941 0.9957 16.0762<br />
43 -338798.9397 153.1913842 2.417166594 00011110001111 HUECKEL 0.7152 0.8702 1.1628<br />
236 -338798.6403 152.8274287 2.716488626 00001000110011 MOEBIUS 0.9799 0.9894 13.3351<br />
2078 -338797.5359 153.0395269 3.820905345 00110110011011 HUECKEL 0.6581 0.845 -13.8757<br />
470 -338797.1086 152.5092814 4.248239315 00011001100111 MOEBIUS 0.9601 0.9807 15.4181<br />
1 -338796.6091 152.4904561 4.747736877 00110110011011 HUECKEL 0.6713 0.8509 -21.1762<br />
71 -338793.3624 152.9679908 7.99447103 00011011001111 HUECKEL 0.6803 0.8548 -10.2863<br />
1006 -338793.3172 152.9366153 8.039651714 00101100110011 MOEBIUS 0.8799 0.9451 11.3239<br />
155 -338792.6708 153.0250942 8.685986499 00110011001111 HUECKEL 0.6664 0.8488 -14.133<br />
127 -338792.5265 152.9297127 8.830313684 00110011011011 HUECKEL 0.6086 0.8226 -8.377<br />
1388 -338791.3945 152.9987388 9.962340822 00100110011011 MOEBIUS 0.6987 0.8634 3.9942<br />
1058 -338790.8391 152.9598332 10.51768673 00001001100011 MOEBIUS 0.8715 0.9409 10.8632<br />
57 -338790.7632 152.4691208 10.59361538 00110110011011 HUECKEL 0.555 0.7986 -4.4098</div>
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