Porphyrin c6f5-Grundsystem Orbitale
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Orbitale des c6f5-NiPorph (LANL2/DZ)
<jmol>
<jmolApplet> <title>Plattenspieler-Konformationen</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 rot -0.02 color red "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://134.245.135.211/mediawiki_upload/ps-py/orbitals/pf-ps-py-PBETZVP-LANL2DZ/0py-niporph-s.MO228.cube"; </script> </item> <item> <text>MO229</text> <script>isoSurface rot -0.02 color red "http://134.245.135.211/mediawiki_upload/ps-py/orbitals/pf-ps-py-PBETZVP-LANL2DZ/0py-niporph-s.MO229.cube"; isoSurface blau 0.02 color blue "http://134.245.135.211/mediawiki_upload/ps-py/orbitals/pf-ps-py-PBETZVP-LANL2DZ/0py-niporph-s.MO229.cube"; </script> </item> <menuHeight>40</menuHeight> </jmolMenu>
</jmol>