https://hergipedia.oc.uni-kiel.de/mediawiki/index.php?action=history&feed=atom&title=Berechnungen_der_Potentialhyperfl%C3%A4che_des_15-Annulenanions Berechnungen der Potentialhyperfläche des 15-Annulenanions - Versionsgeschichte 2026-05-19T22:20:52Z Versionsgeschichte dieser Seite in Hergipedia MediaWiki 1.43.0 https://hergipedia.oc.uni-kiel.de/mediawiki/index.php?title=Berechnungen_der_Potentialhyperfl%C3%A4che_des_15-Annulenanions&diff=4100&oldid=prev Emucke am 26. August 2009 um 07:36 Uhr 2009-08-26T07:36:08Z <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 26. August 2009, 07:36 Uhr</td> </tr><tr><td colspan="2" class="diff-lineno" id="mw-diff-left-l51">Zeile 51:</td> <td colspan="2" class="diff-lineno">Zeile 51:</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>  B2PLYP/6-31G*</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>  B2PLYP/6-31G*</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 -363860.6844 <del style="font-weight: bold; text-decoration: none;">  0</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><ins style="font-weight: bold; text-decoration: none;"> 28 -363863.8085 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>  1 -363860.6844 <ins style="font-weight: bold; text-decoration: none;">3.124144525</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> </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"></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>  SCS-MP2/</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>  SCS-MP2/</div></td></tr> </table> Emucke https://hergipedia.oc.uni-kiel.de/mediawiki/index.php?title=Berechnungen_der_Potentialhyperfl%C3%A4che_des_15-Annulenanions&diff=4095&oldid=prev Emucke am 25. August 2009 um 09:10 Uhr 2009-08-25T09:10:49Z <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 25. August 2009, 09:10 Uhr</td> </tr><tr><td colspan="2" class="diff-lineno" id="mw-diff-left-l52">Zeile 52:</td> <td colspan="2" class="diff-lineno">Zeile 52:</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>  B2PLYP/6-31G*</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>  B2PLYP/6-31G*</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 -363860.6844    0</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 -363860.6844    0</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;">23 -363860.5364    0.148</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>   </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;"><div>  SCS-MP2/</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>  SCS-MP2/</div></td></tr> </table> Emucke https://hergipedia.oc.uni-kiel.de/mediawiki/index.php?title=Berechnungen_der_Potentialhyperfl%C3%A4che_des_15-Annulenanions&diff=4092&oldid=prev Emucke am 24. August 2009 um 12:11 Uhr 2009-08-24T12:11:35Z <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 24. August 2009, 12:11 Uhr</td> </tr><tr><td colspan="2" class="diff-lineno" id="mw-diff-left-l48">Zeile 48:</td> <td colspan="2" class="diff-lineno">Zeile 48:</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>  82 -364242.5548 154.8775022 7.788020404 000110011001111 HUECKEL     0.5732 0.8509</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>  82 -364242.5548 154.8775022 7.788020404 000110011001111 HUECKEL     0.5732 0.8509</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>  341 -364241.98 154.8887974 8.362819106 000011110001111 HUECKEL     0.5918 0.8584</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>  341 -364241.98 154.8887974 8.362819106 000011110001111 HUECKEL     0.5918 0.8584</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;"></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/6-31G*</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 -363860.6844    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;"> 23 -363860.5364    0.148</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;"> SCS-MP2/</ins></div></td></tr> </table> Emucke https://hergipedia.oc.uni-kiel.de/mediawiki/index.php?title=Berechnungen_der_Potentialhyperfl%C3%A4che_des_15-Annulenanions&diff=3703&oldid=prev Emucke am 13. Juli 2009 um 14:46 Uhr 2009-07-13T14:46:36Z <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 13. Juli 2009, 14:46 Uhr</td> </tr><tr><td colspan="2" class="diff-lineno" id="mw-diff-left-l4">Zeile 4:</td> <td colspan="2" class="diff-lineno">Zeile 4:</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>  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>  '''1''' -363499.4537 161.8052071 0         001100110011011 HUECKEL   0.6035 0.8203 17.7271</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''' -363499.4537 161.8052071 0         001100110011011 HUECKEL   0.6035 <ins style="font-weight: bold; text-decoration: none;"> </ins>0.8203 17.7271</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>  ''''''23'''  -363498.6348 161.7054331 0.818899897 001100110011011 HUECKEL   0.5968 0.8174 21.305</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>  ''''''23'''  -363498.6348 161.7054331 0.818899897 001100110011011 HUECKEL   0.5968 <ins style="font-weight: bold; text-decoration: none;"> </ins>0.8174 21.305</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>  '''213''' -363497.2097 162.1164518 2.243973972 000101000110011 HUECKEL   0.6074 0.822 1.5172</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>  '''213''' -363497.2097 162.1164518 2.243973972 000101000110011 HUECKEL   0.6074 <ins style="font-weight: bold; text-decoration: none;"> </ins>0.822 1.5172</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>  '''204''' -363496.4623 161.6131892 2.991337786 000010000110011 MOEBIUS   0.9781 0.9888 -14.3106</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>  '''204''' -363496.4623 161.6131892 2.991337786 000010000110011 MOEBIUS   0.9781 <ins style="font-weight: bold; text-decoration: none;"> </ins>0.9888 -14.3106</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>  '''28''' -363496.2182 161.4500367 3.235438982 000110011000111 MOEBIUS   0.7826 0.9007 -9.6659</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>  '''28''' -363496.2182 161.4500367 3.235438982 000110011000111 MOEBIUS   0.7826 <ins style="font-weight: bold; text-decoration: none;"> </ins>0.9007 -9.6659</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>  '''44''' -363493.9749 161.1162017 5.478785444 001100110011011 HUECKEL   0.5914 0.8147 20.2783</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>  '''44''' -363493.9749 161.1162017 5.478785444 001100110011011 HUECKEL   0.5914 <ins style="font-weight: bold; text-decoration: none;"> </ins>0.8147 20.2783</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>  '''341''' -363492.4055 161.9212964 7.048186704 000011110001111 HUECKEL   0.6018 0.8196 7.5439</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>  '''341''' -363492.4055 161.9212964 7.048186704 000011110001111 HUECKEL   0.6018 <ins style="font-weight: bold; text-decoration: none;"> </ins>0.8196 7.5439</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>  '''48''' -363492.8931 161.3916783 6.560611822 000101100110011 MOEBIUS   0.8088 0.9125 -9.842</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>  '''48''' -363492.8931 161.3916783 6.560611822 000101100110011 MOEBIUS   0.8088 <ins style="font-weight: bold; text-decoration: none;"> </ins>0.9125 -9.842</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>  '''82''' -363491.7773 161.9357291 7.676323714 000110011001111 HUECKEL   0.5732 0.8067 14.2653</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>  '''82''' -363491.7773 161.9357291 7.676323714 000110011001111 HUECKEL   0.5732 <ins style="font-weight: bold; text-decoration: none;"> </ins>0.8067 14.2653</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>  '''36''' -363492.2059 161.5962464 7.247734725 000110110011011 HUECKEL   0.5806 0.8101 18.5367</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>  '''36''' -363492.2059 161.5962464 7.247734725 000110110011011 HUECKEL   0.5806 <ins style="font-weight: bold; text-decoration: none;"> </ins>0.8101 18.5367</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>  '''131''' -363492.0591 161.6037766 7.394571948 000110110011011 HUECKEL   0.5682 0.8045 17.3082</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>  '''131''' -363492.0591 161.6037766 7.394571948 000110110011011 HUECKEL   0.5682 <ins style="font-weight: bold; text-decoration: none;"> </ins>0.8045 17.3082</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=Berechnungen_der_Potentialhyperfl%C3%A4che_des_15-Annulenanions&diff=3702&oldid=prev Emucke am 13. Juli 2009 um 14:46 Uhr 2009-07-13T14:46:08Z <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 13. Juli 2009, 14:46 Uhr</td> </tr><tr><td colspan="2" class="diff-lineno" id="mw-diff-left-l4">Zeile 4:</td> <td colspan="2" class="diff-lineno">Zeile 4:</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>  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>  '''1''' -363499.4537 161.8052071 0         001100110011011 HUECKEL 0.6035 0.8203 17.7271</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''' -363499.4537 161.8052071 0         001100110011011 HUECKEL <ins style="font-weight: bold; text-decoration: none;">  </ins>0.6035 0.8203 17.7271</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>  ''''''23'''  -363498.6348 161.7054331 0.818899897 001100110011011 HUECKEL 0.5968 0.8174 21.305</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>  ''''''23'''  -363498.6348 161.7054331 0.818899897 001100110011011 HUECKEL <ins style="font-weight: bold; text-decoration: none;">  </ins>0.5968 0.8174 21.305</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>  '''213''' -363497.2097 162.1164518 2.243973972 000101000110011 HUECKEL 0.6074 0.822 1.5172</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>  '''213''' -363497.2097 162.1164518 2.243973972 000101000110011 HUECKEL <ins style="font-weight: bold; text-decoration: none;">  </ins>0.6074 0.822 1.5172</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>  '''204''' -363496.4623 161.6131892 2.991337786 000010000110011 MOEBIUS 0.9781 0.9888 -14.3106</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>  '''204''' -363496.4623 161.6131892 2.991337786 000010000110011 MOEBIUS <ins style="font-weight: bold; text-decoration: none;">  </ins>0.9781 0.9888 -14.3106</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>  '''28''' -363496.2182 161.4500367 3.235438982 000110011000111 MOEBIUS 0.7826 0.9007 -9.6659</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>  '''28''' -363496.2182 161.4500367 3.235438982 000110011000111 MOEBIUS <ins style="font-weight: bold; text-decoration: none;">  </ins>0.7826 0.9007 -9.6659</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>  '''44''' -363493.9749 161.1162017 5.478785444 001100110011011 HUECKEL 0.5914 0.8147 20.2783</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>  '''44''' -363493.9749 161.1162017 5.478785444 001100110011011 HUECKEL <ins style="font-weight: bold; text-decoration: none;">  </ins>0.5914 0.8147 20.2783</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>  '''341''' -363492.4055 161.9212964 7.048186704 000011110001111 HUECKEL 0.6018 0.8196 7.5439</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>  '''341''' -363492.4055 161.9212964 7.048186704 000011110001111 HUECKEL <ins style="font-weight: bold; text-decoration: none;">  </ins>0.6018 0.8196 7.5439</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>  '''48''' -363492.8931 161.3916783 6.560611822 000101100110011 MOEBIUS 0.8088 0.9125 -9.842</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>  '''48''' -363492.8931 161.3916783 6.560611822 000101100110011 MOEBIUS <ins style="font-weight: bold; text-decoration: none;">  </ins>0.8088 0.9125 -9.842</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>  '''82''' -363491.7773 161.9357291 7.676323714 000110011001111 HUECKEL 0.5732 0.8067 14.2653</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>  '''82''' -363491.7773 161.9357291 7.676323714 000110011001111 HUECKEL <ins style="font-weight: bold; text-decoration: none;">  </ins>0.5732 0.8067 14.2653</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>  '''36''' -363492.2059 161.5962464 7.247734725 000110110011011 HUECKEL 0.5806 0.8101 18.5367</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>  '''36''' -363492.2059 161.5962464 7.247734725 000110110011011 HUECKEL <ins style="font-weight: bold; text-decoration: none;">  </ins>0.5806 0.8101 18.5367</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>  '''131''' -363492.0591 161.6037766 7.394571948 000110110011011 HUECKEL 0.5682 0.8045 17.3082</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>  '''131''' -363492.0591 161.6037766 7.394571948 000110110011011 HUECKEL <ins style="font-weight: bold; text-decoration: none;">  </ins>0.5682 0.8045 17.3082</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=Berechnungen_der_Potentialhyperfl%C3%A4che_des_15-Annulenanions&diff=3701&oldid=prev Emucke am 13. Juli 2009 um 14:45 Uhr 2009-07-13T14:45:45Z <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 13. Juli 2009, 14:45 Uhr</td> </tr><tr><td colspan="2" class="diff-lineno" id="mw-diff-left-l19">Zeile 19:</td> <td colspan="2" class="diff-lineno">Zeile 19:</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&amp;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&amp;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;"><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>  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>  '''1'''        -363992.8117 160.5621108 0         001100110011011 HUECKEL 0.559 0.8138</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'''        -363992.8117 160.5621108 0         001100110011011 HUECKEL 0.559 0.8138 <ins style="font-weight: bold; text-decoration: none;"> 16.0175</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>  '''23''' -363991.9231 160.5357554 0.888553452 001100110011011 HUECKEL 0.5468 0.8092</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>  '''23''' -363991.9231 160.5357554 0.888553452 001100110011011 HUECKEL 0.5468 0.8092 <ins style="font-weight: bold; text-decoration: none;"> 17.8040</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>  '''213''' -363989.4438 160.8218997 3.367843486 000101000110011 HUECKEL 0.5603 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>  '''213''' -363989.4438 160.8218997 3.367843486 000101000110011 HUECKEL 0.5603 0.813 <ins style="font-weight: bold; text-decoration: none;">  0.1727</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>  '''28''' -363989.1602 160.2809865 3.65147778 000110011000111 MOEBIUS 0.7623 0.8995</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>  '''28''' -363989.1602 160.2809865 3.65147778 000110011000111 MOEBIUS 0.7623 0.8995 <ins style="font-weight: bold; text-decoration: none;">  -8.0022</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>  '''204''' -363988.5515 160.5257152 4.260161996 000010000110011 MOEBIUS 0.9654 0.9886</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>  '''204''' -363988.5515 160.5257152 4.260161996 000010000110011 MOEBIUS 0.9654 0.9886 <ins style="font-weight: bold; text-decoration: none;">  -13.2661</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>  &#039;&#039;&#039;44&#039;&#039;&#039; -363987.6372 159.9860571 5.174443337 001100110011011 HUECKEL 0.5459 0.8073</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>  &#039;&#039;&#039;44&#039;&#039;&#039; -363987.6372 159.9860571 5.174443337 001100110011011 HUECKEL 0.5459 0.8073</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>  &#039;&#039;&#039;48&#039;&#039;&#039; -363986.1758 160.2081954 6.635912962 000101100110011 MOEBIUS 0.7742 0.9052</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>  &#039;&#039;&#039;48&#039;&#039;&#039; -363986.1758 160.2081954 6.635912962 000101100110011 MOEBIUS 0.7742 0.9052</div></td></tr> </table> Emucke https://hergipedia.oc.uni-kiel.de/mediawiki/index.php?title=Berechnungen_der_Potentialhyperfl%C3%A4che_des_15-Annulenanions&diff=3546&oldid=prev Emucke am 29. Juni 2009 um 07:33 Uhr 2009-06-29T07:33:10Z <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 29. Juni 2009, 07:33 Uhr</td> </tr><tr><td colspan="2" class="diff-lineno" id="mw-diff-left-l32">Zeile 32:</td> <td colspan="2" class="diff-lineno">Zeile 32:</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>  &#039;&#039;&#039;103&#039;&#039;&#039; -363984.708 160.0764184 8.103657683 000011011000111 MOEBIUS 0.8939 0.9582</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>  &#039;&#039;&#039;103&#039;&#039;&#039; -363984.708 160.0764184 8.103657683 000011011000111 MOEBIUS 0.8939 0.9582</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>  &#039;&#039;&#039;341&#039;&#039;&#039; -363984.0654 160.6468246 8.746227411 000011110001111 HUECKEL 0.5542 0.8111</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>  &#039;&#039;&#039;341&#039;&#039;&#039; -363984.0654 160.6468246 8.746227411 000011110001111 HUECKEL 0.5542 0.8111</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;"> Berechnungen auf B3LYP/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;"> 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;"> 1 -364250.3428 154.7438427 0         001100110011011 HUECKEL     0.6073 0.8656</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;"> 204 -364249.7693 155.2251425 0.573543683 000010000110011 MOEBIUS     0.9315 0.996</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;"> 28 -364249.9914 154.5957505 0.35140532 000110011000111 MOEBIUS     0.8888 0.9783</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;"> 23 -364249.5559 154.6836018 0.786896913 001100110011011 HUECKEL     0.5948 0.8617</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;"> 48 -364247.728 154.5850828 2.614832086 000101100110011 MOEBIUS     0.9141 0.9896</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;"> 213 -364246.6186 154.9785313 3.724268882 000101000110011 HUECKEL     0.6093 0.864</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;"> 103 -364246.6167 154.7381951 3.726151411 000011011000111 MOEBIUS     0.9188 0.9931</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;"> 44 -364245.4338 154.2725831 4.909006818 001100110011011 HUECKEL     0.5911 0.8577</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;"> 36 -364243.7565 154.634656 6.586339712 000110110011011 HUECKEL     0.5775 0.854</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;"> 131 -364243.2915 154.5756702 7.051324251 000110110011011 HUECKEL     0.5707 0.8518</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;"> 82 -364242.5548 154.8775022 7.788020404 000110011001111 HUECKEL     0.5732 0.8509</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;"> 341 -364241.98 154.8887974 8.362819106 000011110001111 HUECKEL     0.5918 0.8584</ins></div></td></tr> </table> Emucke https://hergipedia.oc.uni-kiel.de/mediawiki/index.php?title=Berechnungen_der_Potentialhyperfl%C3%A4che_des_15-Annulenanions&diff=3527&oldid=prev Emucke am 18. Juni 2009 um 14:13 Uhr 2009-06-18T14:13:25Z <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 18. Juni 2009, 14:13 Uhr</td> </tr><tr><td colspan="2" class="diff-lineno" id="mw-diff-left-l4">Zeile 4:</td> <td colspan="2" class="diff-lineno">Zeile 4:</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>  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>  '''1''' -363499.4537 161.8052071 0 001100110011011 HUECKEL 0.6035 0.8203 17.7271</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''' -363499.4537 161.8052071 0 <ins style="font-weight: bold; text-decoration: none;">        </ins>001100110011011 HUECKEL 0.6035 0.8203 17.7271</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>  &#039;&#039;&#039;&#039;&#039;&#039;23&#039;&#039;&#039;  -363498.6348 161.7054331 0.818899897 001100110011011 HUECKEL 0.5968 0.8174 21.305</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>  &#039;&#039;&#039;&#039;&#039;&#039;23&#039;&#039;&#039;  -363498.6348 161.7054331 0.818899897 001100110011011 HUECKEL 0.5968 0.8174 21.305</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>  &#039;&#039;&#039;213&#039;&#039;&#039; -363497.2097 162.1164518 2.243973972 000101000110011 HUECKEL 0.6074 0.822 1.5172</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>  &#039;&#039;&#039;213&#039;&#039;&#039; -363497.2097 162.1164518 2.243973972 000101000110011 HUECKEL 0.6074 0.822 1.5172</div></td></tr> <tr><td colspan="2" class="diff-lineno" id="mw-diff-left-l20">Zeile 20:</td> <td colspan="2" class="diff-lineno">Zeile 20:</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>  lognumber 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>  lognumber 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>  '''1'''        -363992.8117 160.5621108 0 001100110011011 HUECKEL 0.559 0.8138</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'''        -363992.8117 160.5621108 0 <ins style="font-weight: bold; text-decoration: none;">        </ins>001100110011011 HUECKEL 0.559 0.8138</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>  &#039;&#039;&#039;23&#039;&#039;&#039; -363991.9231 160.5357554 0.888553452 001100110011011 HUECKEL 0.5468 0.8092</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>  &#039;&#039;&#039;23&#039;&#039;&#039; -363991.9231 160.5357554 0.888553452 001100110011011 HUECKEL 0.5468 0.8092</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>  &#039;&#039;&#039;213&#039;&#039;&#039; -363989.4438 160.8218997 3.367843486 000101000110011 HUECKEL 0.5603 0.813</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>  &#039;&#039;&#039;213&#039;&#039;&#039; -363989.4438 160.8218997 3.367843486 000101000110011 HUECKEL 0.5603 0.813</div></td></tr> </table> Emucke https://hergipedia.oc.uni-kiel.de/mediawiki/index.php?title=Berechnungen_der_Potentialhyperfl%C3%A4che_des_15-Annulenanions&diff=3526&oldid=prev Emucke am 18. Juni 2009 um 14:13 Uhr 2009-06-18T14:13:11Z <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 18. Juni 2009, 14:13 Uhr</td> </tr><tr><td colspan="2" class="diff-lineno" id="mw-diff-left-l5">Zeile 5:</td> <td colspan="2" class="diff-lineno">Zeile 5:</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"></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>  &#039;&#039;&#039;1&#039;&#039;&#039; -363499.4537 161.8052071 0 001100110011011 HUECKEL 0.6035 0.8203 17.7271</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>  &#039;&#039;&#039;1&#039;&#039;&#039; -363499.4537 161.8052071 0 001100110011011 HUECKEL 0.6035 0.8203 17.7271</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>  '''23'''  -363498.6348 161.7054331 0.818899897 001100110011011 HUECKEL 0.5968 0.8174 21.305</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>'''23'''  -363498.6348 161.7054331 0.818899897 001100110011011 HUECKEL 0.5968 0.8174 21.305</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>  &#039;&#039;&#039;213&#039;&#039;&#039; -363497.2097 162.1164518 2.243973972 000101000110011 HUECKEL 0.6074 0.822 1.5172</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>  &#039;&#039;&#039;213&#039;&#039;&#039; -363497.2097 162.1164518 2.243973972 000101000110011 HUECKEL 0.6074 0.822 1.5172</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>  &#039;&#039;&#039;204&#039;&#039;&#039; -363496.4623 161.6131892 2.991337786 000010000110011 MOEBIUS 0.9781 0.9888 -14.3106</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>  &#039;&#039;&#039;204&#039;&#039;&#039; -363496.4623 161.6131892 2.991337786 000010000110011 MOEBIUS 0.9781 0.9888 -14.3106</div></td></tr> <tr><td colspan="2" class="diff-lineno" id="mw-diff-left-l18">Zeile 18:</td> <td colspan="2" class="diff-lineno">Zeile 18:</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&amp;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&amp;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;"> 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;"> '''1'''        -363992.8117 160.5621108 0 001100110011011 HUECKEL 0.559 0.8138</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;"> '''23''' -363991.9231 160.5357554 0.888553452 001100110011011 HUECKEL 0.5468 0.8092</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;"> '''213''' -363989.4438 160.8218997 3.367843486 000101000110011 HUECKEL 0.5603 0.813</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;"> '''28''' -363989.1602 160.2809865 3.65147778 000110011000111 MOEBIUS 0.7623 0.8995</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;"> '''204''' -363988.5515 160.5257152 4.260161996 000010000110011 MOEBIUS 0.9654 0.9886</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;"> '''44''' -363987.6372 159.9860571 5.174443337 001100110011011 HUECKEL 0.5459 0.8073</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;"> '''48''' -363986.1758 160.2081954 6.635912962 000101100110011 MOEBIUS 0.7742 0.9052</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;"> '''36''' -363985.798 160.3908007 7.013673681 000110110011011 HUECKEL 0.5312 0.8022</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;"> '''131''' -363985.4899 160.3713479 7.321780846 000110110011011 HUECKEL 0.5206 0.7979</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;"> '''82''' -363985.1015 160.67318 7.710209227 000110011001111 HUECKEL 0.5259 0.7993</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;"> '''103''' -363984.708 160.0764184 8.103657683 000011011000111 MOEBIUS 0.8939 0.9582</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;"> '''341''' -363984.0654 160.6468246 8.746227411 000011110001111 HUECKEL 0.5542 0.8111</ins></div></td></tr> </table> Emucke https://hergipedia.oc.uni-kiel.de/mediawiki/index.php?title=Berechnungen_der_Potentialhyperfl%C3%A4che_des_15-Annulenanions&diff=3525&oldid=prev Emucke am 18. Juni 2009 um 14:06 Uhr 2009-06-18T14:06:47Z <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 18. Juni 2009, 14:06 Uhr</td> </tr><tr><td colspan="2" class="diff-lineno" id="mw-diff-left-l3">Zeile 3:</td> <td colspan="2" class="diff-lineno">Zeile 3:</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 KMLYP 6-31+G* und 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 KMLYP 6-31+G* und 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;"><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>  <del style="font-weight: bold; text-decoration: none;">Nr. </del>E<del style="font-weight: bold; text-decoration: none;">(6-31G*)      ZPE Erel(6-31G*)  Erel (6-311+G**) Topologie CANE PG</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>  <ins style="font-weight: bold; text-decoration: none;">lognumber </ins>E(kcal/mol) <ins style="font-weight: bold; text-decoration: none;">ZPE Erel</ins>(kcal/mol) <ins style="font-weight: bold; text-decoration: none;">CANE string Moebiusity 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><del style="font-weight: bold; text-decoration: none;">        </del>(kcal/mol) <del style="font-weight: bold; text-decoration: none;">        (kcal/mol)    </del>(kcal/mol)</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;">363499</ins>.<ins style="font-weight: bold; text-decoration: none;">4537 161</ins>.<ins style="font-weight: bold; text-decoration: none;">8052071 0 001100110011011 HUECKEL </ins>0.<ins style="font-weight: bold; text-decoration: none;">6035 </ins>0.<ins style="font-weight: bold; text-decoration: none;">8203 17.7271</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>  '''1''' <del style="font-weight: bold; text-decoration: none;">  </del>-<del style="font-weight: bold; text-decoration: none;">363400</del>.<del style="font-weight: bold; text-decoration: none;">1321 163</del>.<del style="font-weight: bold; text-decoration: none;">4   </del>0.<del style="font-weight: bold; text-decoration: none;">000   </del>0.<del style="font-weight: bold; text-decoration: none;">000 Hückel 001100110011011 CS</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>  '''23''' <ins style="font-weight: bold; text-decoration: none;">  </ins>-<ins style="font-weight: bold; text-decoration: none;">363498</ins>.<ins style="font-weight: bold; text-decoration: none;">6348 161</ins>.<ins style="font-weight: bold; text-decoration: none;">7054331 </ins>0.<ins style="font-weight: bold; text-decoration: none;">818899897 001100110011011 HUECKEL 0.5968 </ins>0.<ins style="font-weight: bold; text-decoration: none;">8174 21.305</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>  '''23''' <del style="font-weight: bold; text-decoration: none;"> </del>-<del style="font-weight: bold; text-decoration: none;">363399</del>.<del style="font-weight: bold; text-decoration: none;">6822 163</del>.<del style="font-weight: bold; text-decoration: none;">4   </del>0.<del style="font-weight: bold; text-decoration: none;">450   </del>0.<del style="font-weight: bold; text-decoration: none;">913 Hückel 001100110011011 C1</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>  '''213''' -<ins style="font-weight: bold; text-decoration: none;">363497.2097 162.1164518 2</ins>.<ins style="font-weight: bold; text-decoration: none;">243973972 000101000110011 HUECKEL 0</ins>.<ins style="font-weight: bold; text-decoration: none;">6074 0</ins>.<ins style="font-weight: bold; text-decoration: none;">822 1</ins>.<ins style="font-weight: bold; text-decoration: none;">5172</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>  '''213''' -<del style="font-weight: bold; text-decoration: none;">363396</del>.<del style="font-weight: bold; text-decoration: none;">8301 163</del>.<del style="font-weight: bold; text-decoration: none;">6   3</del>.<del style="font-weight: bold; text-decoration: none;">302   2</del>.<del style="font-weight: bold; text-decoration: none;">150 Hückel 001100110001010 CS</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>  '''204''' -<ins style="font-weight: bold; text-decoration: none;">363496</ins>.<ins style="font-weight: bold; text-decoration: none;">4623 161</ins>.<ins style="font-weight: bold; text-decoration: none;">6131892 </ins>2.<ins style="font-weight: bold; text-decoration: none;">991337786 000010000110011 MOEBIUS 0.9781 0.9888 -14</ins>.<ins style="font-weight: bold; text-decoration: none;">3106</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>  '''204''' -<del style="font-weight: bold; text-decoration: none;">363397</del>.<del style="font-weight: bold; text-decoration: none;">6559 163</del>.<del style="font-weight: bold; text-decoration: none;">3   </del>2.<del style="font-weight: bold; text-decoration: none;">476          3</del>.<del style="font-weight: bold; text-decoration: none;">053 Möbius 000010000110011 C2</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>  '''28''' -<ins style="font-weight: bold; text-decoration: none;">363496</ins>.<ins style="font-weight: bold; text-decoration: none;">2182 161</ins>.<ins style="font-weight: bold; text-decoration: none;">4500367 </ins>3.<ins style="font-weight: bold; text-decoration: none;">235438982 000110011000111 MOEBIUS 0.7826 0.9007 -9</ins>.<ins style="font-weight: bold; text-decoration: none;">6659</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>  '''28''' <del style="font-weight: bold; text-decoration: none;"> </del>-<del style="font-weight: bold; text-decoration: none;">363397</del>.<del style="font-weight: bold; text-decoration: none;">1232 163</del>.<del style="font-weight: bold; text-decoration: none;">1   </del>3.<del style="font-weight: bold; text-decoration: none;">009   3</del>.<del style="font-weight: bold; text-decoration: none;">289 Möbius 001100110001110 C2</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>  '''44''' -<ins style="font-weight: bold; text-decoration: none;">363493</ins>.<ins style="font-weight: bold; text-decoration: none;">9749 161</ins>.<ins style="font-weight: bold; text-decoration: none;">1162017 </ins>5.<ins style="font-weight: bold; text-decoration: none;">478785444 </ins>001100110011011 <ins style="font-weight: bold; text-decoration: none;">HUECKEL 0</ins>.<ins style="font-weight: bold; text-decoration: none;">5914 0</ins>.<ins style="font-weight: bold; text-decoration: none;">8147 20</ins>.<ins style="font-weight: bold; text-decoration: none;">2783</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>  '''44''' <del style="font-weight: bold; text-decoration: none;"> </del>-<del style="font-weight: bold; text-decoration: none;">363396.7975 163</del>.<del style="font-weight: bold; text-decoration: none;">0   3</del>.<del style="font-weight: bold; text-decoration: none;">335   </del>5.<del style="font-weight: bold; text-decoration: none;">809 Hückel </del>001100110011011 <del style="font-weight: bold; text-decoration: none;">C2</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>  '''341''' -<ins style="font-weight: bold; text-decoration: none;">363492</ins>.<ins style="font-weight: bold; text-decoration: none;">4055 161</ins>.<ins style="font-weight: bold; text-decoration: none;">9212964 </ins>7.<ins style="font-weight: bold; text-decoration: none;">048186704 </ins>000011110001111 <ins style="font-weight: bold; text-decoration: none;">HUECKEL 0</ins>.<ins style="font-weight: bold; text-decoration: none;">6018 0</ins>.<ins style="font-weight: bold; text-decoration: none;">8196 </ins>7.<ins style="font-weight: bold; text-decoration: none;">5439</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><del style="font-weight: bold; text-decoration: none;"> '''48'''  -363395</del>.<del style="font-weight: bold; text-decoration: none;">1302 163.2   5</del>.<del style="font-weight: bold; text-decoration: none;">002   6</del>.<del style="font-weight: bold; text-decoration: none;">808 Möbius 000101100110011 C1</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>  '''<ins style="font-weight: bold; text-decoration: none;">48</ins>''' -<ins style="font-weight: bold; text-decoration: none;">363492</ins>.<ins style="font-weight: bold; text-decoration: none;">8931 161</ins>.<ins style="font-weight: bold; text-decoration: none;">3916783 </ins>6.<ins style="font-weight: bold; text-decoration: none;">560611822 000101100110011 MOEBIUS 0.8088 0.9125 -9</ins>.<ins style="font-weight: bold; text-decoration: none;">842</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>  '''341''' -<del style="font-weight: bold; text-decoration: none;">363392</del>.<del style="font-weight: bold; text-decoration: none;">7814 163</del>.<del style="font-weight: bold; text-decoration: none;">5   7.351   </del>7.<del style="font-weight: bold; text-decoration: none;">041 Hückel </del>000011110001111 <del style="font-weight: bold; text-decoration: none;">C2</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>  '''82''' -<ins style="font-weight: bold; text-decoration: none;">363491</ins>.<ins style="font-weight: bold; text-decoration: none;">7773 161</ins>.<ins style="font-weight: bold; text-decoration: none;">9357291 </ins>7.<ins style="font-weight: bold; text-decoration: none;">676323714 000110011001111 HUECKEL 0.5732 0.8067 14</ins>.<ins style="font-weight: bold; text-decoration: none;">2653</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><del style="font-weight: bold; text-decoration: none;"> '''36'''  -363393</del>.<del style="font-weight: bold; text-decoration: none;">9775 163.3   6</del>.<del style="font-weight: bold; text-decoration: none;">155   </del>7.<del style="font-weight: bold; text-decoration: none;">378 Hückel 000110110011011 C1</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>  '''<ins style="font-weight: bold; text-decoration: none;">36</ins>''' -<ins style="font-weight: bold; text-decoration: none;">363492</ins>.<ins style="font-weight: bold; text-decoration: none;">2059 161.5962464 7.247734725 000110110011011 HUECKEL 0</ins>.<ins style="font-weight: bold; text-decoration: none;">5806 0</ins>.<ins style="font-weight: bold; text-decoration: none;">8101 18</ins>.<ins style="font-weight: bold; text-decoration: none;">5367</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>  '''<del style="font-weight: bold; text-decoration: none;">131</del>''' -<del style="font-weight: bold; text-decoration: none;">363394</del>.<del style="font-weight: bold; text-decoration: none;">0660 163</del>.<del style="font-weight: bold; text-decoration: none;">4   </del>6.<del style="font-weight: bold; text-decoration: none;">067   7</del>.<del style="font-weight: bold; text-decoration: none;">617 Hückel 000110110011011 C1</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>  '''<ins style="font-weight: bold; text-decoration: none;">131</ins>''' -<ins style="font-weight: bold; text-decoration: none;">363492</ins>.<ins style="font-weight: bold; text-decoration: none;">0591 161</ins>.<ins style="font-weight: bold; text-decoration: none;">6037766 7.394571948 000110110011011 HUECKEL 0.5682 0</ins>.<ins style="font-weight: bold; text-decoration: none;">8045 17</ins>.<ins style="font-weight: bold; text-decoration: none;">3082</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>  '''82''' <del style="font-weight: bold; text-decoration: none;"> </del>-<del style="font-weight: bold; text-decoration: none;">363392</del>.<del style="font-weight: bold; text-decoration: none;">7683 163</del>.<del style="font-weight: bold; text-decoration: none;">6   </del>7.<del style="font-weight: bold; text-decoration: none;">364   7</del>.<del style="font-weight: bold; text-decoration: none;">662 Hückel 000110011001111 C1</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> </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;">103</del>''' -<del style="font-weight: bold; text-decoration: none;">363393</del>.<del style="font-weight: bold; text-decoration: none;">4648 162</del>.<del style="font-weight: bold; text-decoration: none;">9   6</del>.<del style="font-weight: bold; text-decoration: none;">667   7</del>.<del style="font-weight: bold; text-decoration: none;">482 Möbius 000011011000111 C1</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> </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;">270</del>''' -<del style="font-weight: bold; text-decoration: none;">363393</del>.<del style="font-weight: bold; text-decoration: none;">1391 163</del>.<del style="font-weight: bold; text-decoration: none;">3   6</del>.<del style="font-weight: bold; text-decoration: none;">993   7</del>.<del style="font-weight: bold; text-decoration: none;">789 Möbius 000010001100011 C1</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><ins style="font-weight: bold; text-decoration: none;"> Berechnungen auf BH&amp;HLYP/6-311+G**</ins></div></td></tr> </table> Emucke