C6F5-NiPorph · 2 Py SpinDensity

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Spin Densities


2:1 Komplex C6F5-NiPorph · 2 Py - PBE/DZP

Download Cube File:

C6F5-NiPorph_py_2zu1_coplanar_sd.cub

C6F5-NiPorph_py_2zu1_orthogonal_sd.cub

C6F5-NiPorph_py_2zu1_ruffle_sd.cub

Choose Spin Density Isosurface

coplanar: HF rel = orthogonal: HF rel = ruffle: HF rel =

<jmol> 

 <jmolApplet>
   <signed>true</signed>
   <size>500</size>
   <name>C6F5-NiPorph_py_2zu1_coplanar_sd</name>
   <urlContents>http://134.245.135.211/mediawiki_upload/niporph_py/C6F5-NiPorph_py_2zu1_coplanar_sd.cub</urlContents>
   <script>
      set frank false;
      reset;center {0.0 0.0 -1.485949}; rotate z 41.95; rotate y 94.86; rotate z -89.61;
   </script>
 </jmolApplet>

</jmol>

<jmol> 

 <jmolApplet>
   <signed>true</signed>
   <size>500</size>
   <name>C6F5-NiPorph_py_2zu1_orthogonal_sd</name>
   <urlContents>http://134.245.135.211/mediawiki_upload/niporph_py/C6F5-NiPorph_py_2zu1_orthogonal_sd.cub</urlContents>
   <script>
      set frank false;
      reset;center {0.0 0.0 -1.3375801}; rotate z 127.6; rotate y 89.49; rotate z -90.03;
   </script>
 </jmolApplet>

</jmol>

<jmol> 

 <jmolApplet>
   <signed>true</signed>
   <size>500</size>
   <name>C6F5-NiPorph_py_2zu1_ruffle_sd.cub</name>
   <urlContents>http://http://134.245.135.211/mediawiki_upload/niporph_py/C6F5-NiPorph_py_2zu1_ruffle_sd.cub</urlContents>
   <script>
      set frank false;
      reset;center {0.0 0.0 -1.3375801}; rotate z 127.6; rotate y 89.49; rotate z -90.03;
   </script>
 </jmolApplet>

</jmol>

<jmol> 

 <jmolMenu>
 <target>C6F5-NiPorph_py_2zu1_coplanar_sd.cub</target>
 <item>
    <text>0.004</text>
    <script>
       isosurface sdp 0.004 color darkviolet "http://134.245.135.211/mediawiki_upload/niporph_py/C6F5-NiPorph_py_2zu1_coplanar_sd.cub" translucent
       isosurface sdm -0.004 color violet    "http://134.245.135.211/mediawiki_upload/niporph_py/C6F5-NiPorph_py_2zu1_coplanar_sd.cub" translucent
    </script>
 </item>
 <item>
    <text>0.0004</text>
    <script>
       isosurface sdp 0.0004 color darkviolet "http://134.245.135.211/mediawiki_upload/niporph_py/C6F5-NiPorph_py_2zu1_coplanar_sd.cub" translucent
       isosurface sdm -0.0004 color violet    "http://134.245.135.211/mediawiki_upload/niporph_py/C6F5-NiPorph_py_2zu1_coplanar_sd.cub" translucent
    </script>
 </item>
 <item>
    <text>0.00004</text>
    <script>
       isosurface sdp 0.00004 color darkviolet "http://134.245.135.211/mediawiki_upload/niporph_py/C6F5-NiPorph_py_2zu1_coplanar_sd.cub" translucent
       isosurface sdm -0.00004 color violet    "http://134.245.135.211/mediawiki_upload/niporph_py/C6F5-NiPorph_py_2zu1_coplanar_sd.cub" translucent
    </script>
 </item>
 <item>
    <text>0.000004</text>
    <script>
       isosurface sdp 0.000004 color darkviolet "http://134.245.135.211/mediawiki_upload/niporph_py/C6F5-NiPorph_py_2zu1_coplanar_sd.cub" translucent
       isosurface sdm -0.000004 color violet    "http://134.245.135.211/mediawiki_upload/niporph_py/C6F5-NiPorph_py_2zu1_coplanar_sd.cub" translucent
    </script>
 </item>
 <item>
    <text>None</text>
    <checked>true</checked>
    <script>
       isosurface delete;
    </script>
 </item>
 <menuHeight>-1</menuHeight>
 </jmolMenu>

</jmol>

<jmol> 

 <jmolMenu>
 <target>C6F5-NiPorph_py_2zu1_orthogonal_sd</target>
 <item>
    <text>0.004</text>
    <script>
       isosurface sdp 0.004 color darkviolet "http://134.245.135.211/mediawiki_upload/niporph_py/C6F5-NiPorph_py_2zu1_orthogonal_sd.cub" translucent
       isosurface sdm -0.004 color violet    "http://134.245.135.211/mediawiki_upload/niporph_py/C6F5-NiPorph_py_2zu1_orthogonal_sd.cub" translucent
    </script>
 </item>
 <item>
    <text>0.0004</text>
    <script>
       isosurface sdp 0.0004 color darkviolet "http://134.245.135.211/mediawiki_upload/niporph_py/C6F5-NiPorph_py_2zu1_orthogonal_sd.cub" translucent
       isosurface sdm -0.0004 color violet    "http://134.245.135.211/mediawiki_upload/niporph_py/C6F5-NiPorph_py_2zu1_orthogonal_sd.cub" translucent
    </script>
 </item>
 <item>
    <text>0.00004</text>
    <script>
       isosurface sdp 0.00004 color darkviolet "http://134.245.135.211/mediawiki_upload/niporph_py/C6F5-NiPorph_py_2zu1_orthogonal_sd.cub" translucent
       isosurface sdm -0.00004 color violet    "http://134.245.135.211/mediawiki_upload/niporph_py/C6F5-NiPorph_py_2zu1_orthogonal_sd.cub" translucent
    </script>
 </item>
 <item>
    <text>0.000004</text>
    <script>
       isosurface sdp 0.000004 color darkviolet "http://134.245.135.211/mediawiki_upload/niporph_py/C6F5-NiPorph_py_2zu1_orthogonal_sd.cub" translucent
       isosurface sdm -0.000004 color violet    "http://134.245.135.211/mediawiki_upload/niporph_py/C6F5-NiPorph_py_2zu1_orthogonal_sd.cub" translucent
    </script>
 </item>
 <item>
    <text>None</text>
    <checked>true</checked>
    <script>
       isosurface delete;
    </script>
 </item>
 <menuHeight>-1</menuHeight>
 </jmolMenu>

</jmol>

<jmol> 

 <jmolMenu>
 <target>C6F5-NiPorph_py_2zu1_ruffle_sd</target>
 <item>
    <text>0.004</text>
    <script>
       isosurface sdp 0.004 color darkviolet "http://134.245.135.211/mediawiki_upload/niporph_py/C6F5-NiPorph_py_2zu1_ruffle_sd.cub" translucent
       isosurface sdm -0.004 color violet    "http://134.245.135.211/mediawiki_upload/niporph_py/C6F5-NiPorph_py_2zu1_ruffle_sd.cub" translucent
    </script>
 </item>
 <item>
    <text>0.0004</text>
    <script>
       isosurface sdp 0.0004 color darkviolet "http://134.245.135.211/mediawiki_upload/niporph_py/C6F5-NiPorph_py_2zu1_ruffle_sd.cub" translucent
       isosurface sdm -0.0004 color violet    "http://134.245.135.211/mediawiki_upload/niporph_py/C6F5-NiPorph_py_2zu1_ruffle_sd.cub" translucent
    </script>
 </item>
 <item>
    <text>0.00004</text>
    <script>
       isosurface sdp 0.00004 color darkviolet "http://134.245.135.211/mediawiki_upload/niporph_py/C6F5-NiPorph_py_2zu1_ruffle_sd.cub" translucent
       isosurface sdm -0.00004 color violet    "http://134.245.135.211/mediawiki_upload/niporph_py/C6F5-NiPorph_py_2zu1_ruffle_sd.cub" translucent
    </script>
 </item>
 <item>
    <text>0.000004</text>
    <script>
       isosurface sdp 0.000004 color darkviolet "http://134.245.135.211/mediawiki_upload/niporph_py/C6F5-NiPorph_py_2zu1_ruffle_sd.cub" translucent
       isosurface sdm -0.000004 color violet    "http://134.245.135.211/mediawiki_upload/niporph_py/C6F5-NiPorph_py_2zu1_ruffle_sd.cub" translucent
    </script>
 </item>
 <item>
    <text>None</text>
    <checked>true</checked>
    <script>
       isosurface delete;
    </script>
 </item>
 <menuHeight>-1</menuHeight>
 </jmolMenu>

</jmol>

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