Porphyrin c6f5-Grundsystem Orbitale: Unterschied zwischen den Versionen

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==Orbitale des c6f5-NiPorph (LANL2/DZ)==
==Orbitale des c6f5-NiPorph (LANL2/DZ)==
Download: [http://hergipedia/mediawiki_upload/ps-py/orbitals/pf-ps-py-PBETZVP-LANL2DZ.zip]


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<jmol>
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  <title>Plattenspieler-Konformationen</title><color>white</color>
    <title>Orbitale des c6f5-NiPorphs</title>
  <uploadedFileContents>tddft-c6f5-niporph-s.log</uploadedFileContents>
    <color>white</color>
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    <uploadedFileContents>tddft-c6f5-niporph-s.log</uploadedFileContents>
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       frank false;
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     <item>
     <item>
       <text>R=H/h-ps-py-PBETZVP/21-cis-t-u.xyz</text>
       <text>MO228</text>
       <script>
       <script>
load "http://134.245.135.211/mediawiki_upload/ps-py/orbitals/pf-ps-py-PBETZVP-LANL2DZ/0py-niporph-s.MO228.cube";
        isosurface delete;
isoSurface blau 0.02 "http://134.245.135.211/mediawiki_upload/ps-py/orbitals/pf-ps-py-PBETZVP-LANL2DZ/0py-niporph-s.MO228.cube";
        isosurface rot -0.02 color red "http://hergipedia/mediawiki_upload/ps-py/orbitals/pf-ps-py-PBETZVP-LANL2DZ/0py-niporph-s.MO228.cube";
isoSurface rot -0.02 "http://134.245.135.211/mediawiki_upload/ps-py/orbitals/pf-ps-py-PBETZVP-LANL2DZ/0py-niporph-s.MO228.cube";
        isosurface blau 0.02 color blue "http://hergipedia/mediawiki_upload/ps-py/orbitals/pf-ps-py-PBETZVP-LANL2DZ/0py-niporph-s.MO228.cube";
       </script>
       </script>
     </item>
     </item>
  <menuHeight>40</menuHeight>
    <item>
      <text>MO229</text>
      <script>
        isosurface delete;
        isosurface rot -0.02 color red "http://hergipedia/mediawiki_upload/ps-py/orbitals/pf-ps-py-PBETZVP-LANL2DZ/0py-niporph-s.MO229.cube";
        isosurface blau 0.02 color blue "http://hergipedia/mediawiki_upload/ps-py/orbitals/pf-ps-py-PBETZVP-LANL2DZ/0py-niporph-s.MO229.cube";
      </script>
    </item>
    <item>
      <text>MO239</text>
      <script>
        isosurface delete;
        isosurface rot -0.02 color red "http://hergipedia/mediawiki_upload/ps-py/orbitals/pf-ps-py-PBETZVP-LANL2DZ/0py-niporph-s.MO239.cube";
        isosurface blau 0.02 color blue "http://hergipedia/mediawiki_upload/ps-py/orbitals/pf-ps-py-PBETZVP-LANL2DZ/0py-niporph-s.MO239.cube";
      </script>
    </item>
    <item>
      <text>MO240</text>
      <script>
        isosurface delete;
        isosurface rot -0.02 color red "http://hergipedia/mediawiki_upload/ps-py/orbitals/pf-ps-py-PBETZVP-LANL2DZ/0py-niporph-s.MO240.cube";
        isosurface blau 0.02 color blue "http://hergipedia/mediawiki_upload/ps-py/orbitals/pf-ps-py-PBETZVP-LANL2DZ/0py-niporph-s.MO240.cube";
      </script>
    </item>
    <item>
      <text>MO241</text>
      <script>
        isosurface delete;
        isosurface rot -0.02 color red "http://hergipedia/mediawiki_upload/ps-py/orbitals/pf-ps-py-PBETZVP-LANL2DZ/0py-niporph-s.MO241.cube";
        isosurface blau 0.02 color blue "http://hergipedia/mediawiki_upload/ps-py/orbitals/pf-ps-py-PBETZVP-LANL2DZ/0py-niporph-s.MO241.cube";
      </script>
    </item>
    <item>
      <text>MO242</text>
      <script>
        isosurface delete;
        isosurface rot -0.02 color red "http://hergipedia/mediawiki_upload/ps-py/orbitals/pf-ps-py-PBETZVP-LANL2DZ/0py-niporph-s.MO242.cube";
        isosurface blau 0.02 color blue "http://hergipedia/mediawiki_upload/ps-py/orbitals/pf-ps-py-PBETZVP-LANL2DZ/0py-niporph-s.MO242.cube";
      </script>
    </item>
    <item>
      <text>MO243</text>
      <script>
        isosurface delete;
        isosurface rot -0.02 color red "http://hergipedia/mediawiki_upload/ps-py/orbitals/pf-ps-py-PBETZVP-LANL2DZ/0py-niporph-s.MO243.cube";
        isosurface blau 0.02 color blue "http://hergipedia/mediawiki_upload/ps-py/orbitals/pf-ps-py-PBETZVP-LANL2DZ/0py-niporph-s.MO243.cube";
      </script>
    </item>
    <item>
      <text>MO244</text>
      <script>
        isosurface delete;
        isosurface rot -0.02 color red "http://hergipedia/mediawiki_upload/ps-py/orbitals/pf-ps-py-PBETZVP-LANL2DZ/0py-niporph-s.MO244.cube";
        isosurface blau 0.02 color blue "http://hergipedia/mediawiki_upload/ps-py/orbitals/pf-ps-py-PBETZVP-LANL2DZ/0py-niporph-s.MO244.cube";
      </script>
    </item>
    <item>
      <text>MO245</text>
      <script>
        isosurface delete;
        isosurface rot -0.02 color red "http://hergipedia/mediawiki_upload/ps-py/orbitals/pf-ps-py-PBETZVP-LANL2DZ/0py-niporph-s.MO245.cube";
        isosurface blau 0.02 color blue "http://hergipedia/mediawiki_upload/ps-py/orbitals/pf-ps-py-PBETZVP-LANL2DZ/0py-niporph-s.MO245.cube";
      </script>
    </item>
    <item>
      <text>MO246</text>
      <script>
        isosurface delete;
        isosurface rot -0.02 color red "http://hergipedia/mediawiki_upload/ps-py/orbitals/pf-ps-py-PBETZVP-LANL2DZ/0py-niporph-s.MO246.cube";
        isosurface blau 0.02 color blue "http://hergipedia/mediawiki_upload/ps-py/orbitals/pf-ps-py-PBETZVP-LANL2DZ/0py-niporph-s.MO246.cube";
      </script>
    </item>
    <item>
      <text>MO247</text>
      <script>
        isosurface delete;
        isosurface rot -0.02 color red "http://hergipedia/mediawiki_upload/ps-py/orbitals/pf-ps-py-PBETZVP-LANL2DZ/0py-niporph-s.MO247.cube";
        isosurface blau 0.02 color blue "http://hergipedia/mediawiki_upload/ps-py/orbitals/pf-ps-py-PBETZVP-LANL2DZ/0py-niporph-s.MO247.cube";
      </script>
    </item>
    <item>
      <text>MO248</text>
      <script>
        isosurface delete;
        isosurface rot -0.02 color red "http://hergipedia/mediawiki_upload/ps-py/orbitals/pf-ps-py-PBETZVP-LANL2DZ/0py-niporph-s.MO248.cube";
        isosurface blau 0.02 color blue "http://hergipedia/mediawiki_upload/ps-py/orbitals/pf-ps-py-PBETZVP-LANL2DZ/0py-niporph-s.MO248.cube";
      </script>
    </item>
    <item>
      <text>MO249</text>
      <script>
        isosurface delete;
        isosurface rot -0.02 color red "http://hergipedia/mediawiki_upload/ps-py/orbitals/pf-ps-py-PBETZVP-LANL2DZ/0py-niporph-s.MO249.cube";
        isosurface blau 0.02 color blue "http://hergipedia/mediawiki_upload/ps-py/orbitals/pf-ps-py-PBETZVP-LANL2DZ/0py-niporph-s.MO249.cube";
      </script>
    </item>
    <item>
      <text>MO250</text>
      <script>
        isosurface delete;
        isosurface rot -0.02 color red "http://hergipedia/mediawiki_upload/ps-py/orbitals/pf-ps-py-PBETZVP-LANL2DZ/0py-niporph-s.MO250.cube";
        isosurface blau 0.02 color blue "http://hergipedia/mediawiki_upload/ps-py/orbitals/pf-ps-py-PBETZVP-LANL2DZ/0py-niporph-s.MO250.cube";
      </script>
    </item>
    <item>
      <text>MO251</text>
      <script>
        isosurface delete;
        isosurface rot -0.02 color red "http://hergipedia/mediawiki_upload/ps-py/orbitals/pf-ps-py-PBETZVP-LANL2DZ/0py-niporph-s.MO251.cube";
        isosurface blau 0.02 color blue "http://hergipedia/mediawiki_upload/ps-py/orbitals/pf-ps-py-PBETZVP-LANL2DZ/0py-niporph-s.MO251.cube";
      </script>
    </item>
    <item>
      <text>MO252</text>
      <script>
        isosurface delete;
        isosurface rot -0.02 color red "http://hergipedia/mediawiki_upload/ps-py/orbitals/pf-ps-py-PBETZVP-LANL2DZ/0py-niporph-s.MO252.cube";
        isosurface blau 0.02 color blue "http://hergipedia/mediawiki_upload/ps-py/orbitals/pf-ps-py-PBETZVP-LANL2DZ/0py-niporph-s.MO252.cube";
      </script>
    </item>
    <item>
      <text>MO253</text>
      <script>
        isosurface delete;
        isosurface rot -0.02 color red "http://hergipedia/mediawiki_upload/ps-py/orbitals/pf-ps-py-PBETZVP-LANL2DZ/0py-niporph-s.MO253.cube";
        isosurface blau 0.02 color blue "http://hergipedia/mediawiki_upload/ps-py/orbitals/pf-ps-py-PBETZVP-LANL2DZ/0py-niporph-s.MO253.cube";
      </script>
    </item>
    <item>
      <text>MO254</text>
      <script>
        isosurface delete;
        isosurface rot -0.02 color red "http://hergipedia/mediawiki_upload/ps-py/orbitals/pf-ps-py-PBETZVP-LANL2DZ/0py-niporph-s.MO254.cube";
        isosurface blau 0.02 color blue "http://hergipedia/mediawiki_upload/ps-py/orbitals/pf-ps-py-PBETZVP-LANL2DZ/0py-niporph-s.MO254.cube";
      </script>
    </item>
    <item>
      <text>MO255</text>
      <script>
        isosurface delete;
        isosurface rot -0.02 color red "http://hergipedia/mediawiki_upload/ps-py/orbitals/pf-ps-py-PBETZVP-LANL2DZ/0py-niporph-s.MO255.cube";
        isosurface blau 0.02 color blue "http://hergipedia/mediawiki_upload/ps-py/orbitals/pf-ps-py-PBETZVP-LANL2DZ/0py-niporph-s.MO255.cube";
      </script>
    </item>
    <item>
      <text>MO256</text>
      <script>
        isosurface delete;
        isosurface rot -0.02 color red "http://hergipedia/mediawiki_upload/ps-py/orbitals/pf-ps-py-PBETZVP-LANL2DZ/0py-niporph-s.MO256.cube";
        isosurface blau 0.02 color blue "http://hergipedia/mediawiki_upload/ps-py/orbitals/pf-ps-py-PBETZVP-LANL2DZ/0py-niporph-s.MO256.cube";
      </script>
    </item>
    <item>
      <text>MO257</text>
      <script>
        isosurface delete;
        isosurface rot -0.02 color red "http://hergipedia/mediawiki_upload/ps-py/orbitals/pf-ps-py-PBETZVP-LANL2DZ/0py-niporph-s.MO257.cube";
        isosurface blau 0.02 color blue "http://hergipedia/mediawiki_upload/ps-py/orbitals/pf-ps-py-PBETZVP-LANL2DZ/0py-niporph-s.MO257.cube";
      </script>
    </item>
    <menuHeight>21</menuHeight>
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   </jmolMenu>
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</jmol>

Aktuelle Version vom 26. Juli 2010, 22:50 Uhr

Orbitale des c6f5-NiPorph (LANL2/DZ)

Download: [1]

<jmol> 

 <jmolApplet>
   <title>Orbitale des c6f5-NiPorphs</title>
   <color>white</color>
   <uploadedFileContents>tddft-c6f5-niporph-s.log</uploadedFileContents>
   <script>
     frank false;
   </script>
   <size>600</size>
 </jmolApplet>
 <jmolMenu>
   <item>
     <text>MO228</text>
     <script>
       isosurface delete;
       isosurface rot -0.02 color red "http://hergipedia/mediawiki_upload/ps-py/orbitals/pf-ps-py-PBETZVP-LANL2DZ/0py-niporph-s.MO228.cube";
       isosurface blau 0.02 color blue "http://hergipedia/mediawiki_upload/ps-py/orbitals/pf-ps-py-PBETZVP-LANL2DZ/0py-niporph-s.MO228.cube";
     </script>
   </item>
   <item>
     <text>MO229</text>
     <script>
       isosurface delete;
       isosurface rot -0.02 color red "http://hergipedia/mediawiki_upload/ps-py/orbitals/pf-ps-py-PBETZVP-LANL2DZ/0py-niporph-s.MO229.cube";
       isosurface blau 0.02 color blue "http://hergipedia/mediawiki_upload/ps-py/orbitals/pf-ps-py-PBETZVP-LANL2DZ/0py-niporph-s.MO229.cube";
     </script>
   </item>
   <item>
     <text>MO239</text>
     <script>
       isosurface delete;
       isosurface rot -0.02 color red "http://hergipedia/mediawiki_upload/ps-py/orbitals/pf-ps-py-PBETZVP-LANL2DZ/0py-niporph-s.MO239.cube";
       isosurface blau 0.02 color blue "http://hergipedia/mediawiki_upload/ps-py/orbitals/pf-ps-py-PBETZVP-LANL2DZ/0py-niporph-s.MO239.cube";
     </script>
   </item>
   <item>
     <text>MO240</text>
     <script>
       isosurface delete;
       isosurface rot -0.02 color red "http://hergipedia/mediawiki_upload/ps-py/orbitals/pf-ps-py-PBETZVP-LANL2DZ/0py-niporph-s.MO240.cube";
       isosurface blau 0.02 color blue "http://hergipedia/mediawiki_upload/ps-py/orbitals/pf-ps-py-PBETZVP-LANL2DZ/0py-niporph-s.MO240.cube";
     </script>
   </item>
   <item>
     <text>MO241</text>
     <script>
       isosurface delete;
       isosurface rot -0.02 color red "http://hergipedia/mediawiki_upload/ps-py/orbitals/pf-ps-py-PBETZVP-LANL2DZ/0py-niporph-s.MO241.cube";
       isosurface blau 0.02 color blue "http://hergipedia/mediawiki_upload/ps-py/orbitals/pf-ps-py-PBETZVP-LANL2DZ/0py-niporph-s.MO241.cube";
     </script>
   </item>
   <item>
     <text>MO242</text>
     <script>
       isosurface delete;
       isosurface rot -0.02 color red "http://hergipedia/mediawiki_upload/ps-py/orbitals/pf-ps-py-PBETZVP-LANL2DZ/0py-niporph-s.MO242.cube";
       isosurface blau 0.02 color blue "http://hergipedia/mediawiki_upload/ps-py/orbitals/pf-ps-py-PBETZVP-LANL2DZ/0py-niporph-s.MO242.cube";
     </script>
   </item>
   <item>
     <text>MO243</text>
     <script>
       isosurface delete;
       isosurface rot -0.02 color red "http://hergipedia/mediawiki_upload/ps-py/orbitals/pf-ps-py-PBETZVP-LANL2DZ/0py-niporph-s.MO243.cube";
       isosurface blau 0.02 color blue "http://hergipedia/mediawiki_upload/ps-py/orbitals/pf-ps-py-PBETZVP-LANL2DZ/0py-niporph-s.MO243.cube";
     </script>
   </item>
   <item>
     <text>MO244</text>
     <script>
       isosurface delete;
       isosurface rot -0.02 color red "http://hergipedia/mediawiki_upload/ps-py/orbitals/pf-ps-py-PBETZVP-LANL2DZ/0py-niporph-s.MO244.cube";
       isosurface blau 0.02 color blue "http://hergipedia/mediawiki_upload/ps-py/orbitals/pf-ps-py-PBETZVP-LANL2DZ/0py-niporph-s.MO244.cube";
     </script>
   </item>
   <item>
     <text>MO245</text>
     <script>
       isosurface delete;
       isosurface rot -0.02 color red "http://hergipedia/mediawiki_upload/ps-py/orbitals/pf-ps-py-PBETZVP-LANL2DZ/0py-niporph-s.MO245.cube";
       isosurface blau 0.02 color blue "http://hergipedia/mediawiki_upload/ps-py/orbitals/pf-ps-py-PBETZVP-LANL2DZ/0py-niporph-s.MO245.cube";
     </script>
   </item>
   <item>
     <text>MO246</text>
     <script>
       isosurface delete;
       isosurface rot -0.02 color red "http://hergipedia/mediawiki_upload/ps-py/orbitals/pf-ps-py-PBETZVP-LANL2DZ/0py-niporph-s.MO246.cube";
       isosurface blau 0.02 color blue "http://hergipedia/mediawiki_upload/ps-py/orbitals/pf-ps-py-PBETZVP-LANL2DZ/0py-niporph-s.MO246.cube";
     </script>
   </item>
   <item>
     <text>MO247</text>
     <script>
       isosurface delete;
       isosurface rot -0.02 color red "http://hergipedia/mediawiki_upload/ps-py/orbitals/pf-ps-py-PBETZVP-LANL2DZ/0py-niporph-s.MO247.cube";
       isosurface blau 0.02 color blue "http://hergipedia/mediawiki_upload/ps-py/orbitals/pf-ps-py-PBETZVP-LANL2DZ/0py-niporph-s.MO247.cube";
     </script>
   </item>
   <item>
     <text>MO248</text>
     <script>
       isosurface delete;
       isosurface rot -0.02 color red "http://hergipedia/mediawiki_upload/ps-py/orbitals/pf-ps-py-PBETZVP-LANL2DZ/0py-niporph-s.MO248.cube";
       isosurface blau 0.02 color blue "http://hergipedia/mediawiki_upload/ps-py/orbitals/pf-ps-py-PBETZVP-LANL2DZ/0py-niporph-s.MO248.cube";
     </script>
   </item>
   <item>
     <text>MO249</text>
     <script>
       isosurface delete;
       isosurface rot -0.02 color red "http://hergipedia/mediawiki_upload/ps-py/orbitals/pf-ps-py-PBETZVP-LANL2DZ/0py-niporph-s.MO249.cube";
       isosurface blau 0.02 color blue "http://hergipedia/mediawiki_upload/ps-py/orbitals/pf-ps-py-PBETZVP-LANL2DZ/0py-niporph-s.MO249.cube";
     </script>
   </item>
   <item>
     <text>MO250</text>
     <script>
       isosurface delete;
       isosurface rot -0.02 color red "http://hergipedia/mediawiki_upload/ps-py/orbitals/pf-ps-py-PBETZVP-LANL2DZ/0py-niporph-s.MO250.cube";
       isosurface blau 0.02 color blue "http://hergipedia/mediawiki_upload/ps-py/orbitals/pf-ps-py-PBETZVP-LANL2DZ/0py-niporph-s.MO250.cube";
     </script>
   </item>
   <item>
     <text>MO251</text>
     <script>
       isosurface delete;
       isosurface rot -0.02 color red "http://hergipedia/mediawiki_upload/ps-py/orbitals/pf-ps-py-PBETZVP-LANL2DZ/0py-niporph-s.MO251.cube";
       isosurface blau 0.02 color blue "http://hergipedia/mediawiki_upload/ps-py/orbitals/pf-ps-py-PBETZVP-LANL2DZ/0py-niporph-s.MO251.cube";
     </script>
   </item>
   <item>
     <text>MO252</text>
     <script>
       isosurface delete;
       isosurface rot -0.02 color red "http://hergipedia/mediawiki_upload/ps-py/orbitals/pf-ps-py-PBETZVP-LANL2DZ/0py-niporph-s.MO252.cube";
       isosurface blau 0.02 color blue "http://hergipedia/mediawiki_upload/ps-py/orbitals/pf-ps-py-PBETZVP-LANL2DZ/0py-niporph-s.MO252.cube";
     </script>
   </item>
   <item>
     <text>MO253</text>
     <script>
       isosurface delete;
       isosurface rot -0.02 color red "http://hergipedia/mediawiki_upload/ps-py/orbitals/pf-ps-py-PBETZVP-LANL2DZ/0py-niporph-s.MO253.cube";
       isosurface blau 0.02 color blue "http://hergipedia/mediawiki_upload/ps-py/orbitals/pf-ps-py-PBETZVP-LANL2DZ/0py-niporph-s.MO253.cube";
     </script>
   </item>
   <item>
     <text>MO254</text>
     <script>
       isosurface delete;
       isosurface rot -0.02 color red "http://hergipedia/mediawiki_upload/ps-py/orbitals/pf-ps-py-PBETZVP-LANL2DZ/0py-niporph-s.MO254.cube";
       isosurface blau 0.02 color blue "http://hergipedia/mediawiki_upload/ps-py/orbitals/pf-ps-py-PBETZVP-LANL2DZ/0py-niporph-s.MO254.cube";
     </script>
   </item>
   <item>
     <text>MO255</text>
     <script>
       isosurface delete;
       isosurface rot -0.02 color red "http://hergipedia/mediawiki_upload/ps-py/orbitals/pf-ps-py-PBETZVP-LANL2DZ/0py-niporph-s.MO255.cube";
       isosurface blau 0.02 color blue "http://hergipedia/mediawiki_upload/ps-py/orbitals/pf-ps-py-PBETZVP-LANL2DZ/0py-niporph-s.MO255.cube";
     </script>
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