Ps-py:cis-diazophenyl-pyridin Orbitale

zurück: Theoretische Untersuchungen zu den Plattenspieler-Molekülen

Orbitale des Cis-diazophenyl-pyridin (LANL2/DZ)

Download: [1]

<jmol>

 <jmolApplet>
   <title>Orbitale des cis-pap</title>
   <color>white</color>
   <uploadedFileContents>Tddft-cis-diazophenyl-pyridin-s.xyz</uploadedFileContents>
   <script>
     frank false;
   </script>
   <size>600</size>
 </jmolApplet>
 <jmolMenu>
   <item>
     <text>MO43</text>
     <script>
       isosurface delete;
       isosurface rot -0.02 color red "http://hergipedia/mediawiki_upload/ps-py/orbitals/cis-pap/cis-pap.MO43.cube";
       isosurface blau 0.02 color blue "http://hergipedia/mediawiki_upload/ps-py/orbitals/cis-pap/cis-pap.MO43.cube";
     </script>
   </item>
   <item>
     <text>MO44</text>
     <script>
       isosurface delete;
       isosurface rot -0.02 color red "http://hergipedia/mediawiki_upload/ps-py/orbitals/cis-pap/cis-pap.MO44.cube";
       isosurface blau 0.02 color blue "http://hergipedia/mediawiki_upload/ps-py/orbitals/cis-pap/cis-pap.MO44.cube";
     </script>
   </item>
   <item>
     <text>MO45</text>
     <script>
       isosurface delete;
       isosurface rot -0.02 color red "http://hergipedia/mediawiki_upload/ps-py/orbitals/cis-pap/cis-pap.MO45.cube";
       isosurface blau 0.02 color blue "http://hergipedia/mediawiki_upload/ps-py/orbitals/cis-pap/cis-pap.MO45.cube";
     </script>
   </item>
   <item>
     <text>MO46</text>
     <script>
       isosurface delete;
       isosurface rot -0.02 color red "http://hergipedia/mediawiki_upload/ps-py/orbitals/cis-pap/cis-pap.MO46.cube";
       isosurface blau 0.02 color blue "http://hergipedia/mediawiki_upload/ps-py/orbitals/cis-pap/cis-pap.MO46.cube";
     </script>
   </item>
   <item>
     <text>MO47</text>
     <script>
       isosurface delete;
       isosurface rot -0.02 color red "http://hergipedia/mediawiki_upload/ps-py/orbitals/cis-pap/cis-pap.MO47.cube";
       isosurface blau 0.02 color blue "http://hergipedia/mediawiki_upload/ps-py/orbitals/cis-pap/cis-pap.MO47.cube";
     </script>
   </item>
   <item>
     <text>MO48</text>
     <script>
       isosurface delete;
       isosurface rot -0.02 color red "http://hergipedia/mediawiki_upload/ps-py/orbitals/cis-pap/cis-pap.MO48.cube";
       isosurface blau 0.02 color blue "http://hergipedia/mediawiki_upload/ps-py/orbitals/cis-pap/cis-pap.MO48.cube";
     </script>
   </item>
   <item>
     <text>MO49</text>
     <script>
       isosurface delete;
       isosurface rot -0.02 color red "http://hergipedia/mediawiki_upload/ps-py/orbitals/cis-pap/cis-pap.MO49.cube";
       isosurface blau 0.02 color blue "http://hergipedia/mediawiki_upload/ps-py/orbitals/cis-pap/cis-pap.MO49.cube";
     </script>
   </item>
   <item>
     <text>MO50</text>
     <script>
       isosurface delete;
       isosurface rot -0.02 color red "http://hergipedia/mediawiki_upload/ps-py/orbitals/cis-pap/cis-pap.MO50.cube";
       isosurface blau 0.02 color blue "http://hergipedia/mediawiki_upload/ps-py/orbitals/cis-pap/cis-pap.MO50.cube";
     </script>
   </item>
   <item>
     <text>MO51</text>
     <script>
       isosurface delete;
       isosurface rot -0.02 color red "http://hergipedia/mediawiki_upload/ps-py/orbitals/cis-pap/cis-pap.MO51.cube";
       isosurface blau 0.02 color blue "http://hergipedia/mediawiki_upload/ps-py/orbitals/cis-pap/cis-pap.MO51.cube";
     </script>
   </item>
   <item>
     <text>MO52</text>
     <script>
       isosurface delete;
       isosurface rot -0.02 color red "http://hergipedia/mediawiki_upload/ps-py/orbitals/cis-pap/cis-pap.MO52.cube";
       isosurface blau 0.02 color blue "http://hergipedia/mediawiki_upload/ps-py/orbitals/cis-pap/cis-pap.MO52.cube";
     </script>
   </item>
   <item>
     <text>MO53</text>
     <script>
       isosurface delete;
       isosurface rot -0.02 color red "http://hergipedia/mediawiki_upload/ps-py/orbitals/cis-pap/cis-pap.MO53.cube";
       isosurface blau 0.02 color blue "http://hergipedia/mediawiki_upload/ps-py/orbitals/cis-pap/cis-pap.MO53.cube";
     </script>
   </item>
   <menuHeight>11</menuHeight>
 </jmolMenu>

</jmol>