Porphyrin c6f5-Grundsystem Orbitale: Unterschied zwischen den Versionen
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<uploadedFileContents>tddft-c6f5-niporph-s.log</uploadedFileContents> | <uploadedFileContents>tddft-c6f5-niporph-s.log</uploadedFileContents> | ||
<script> | <script> | ||
frank false; | frank false; isoval=0.02; | ||
</script> | </script> | ||
<size>600</size> | <size>600</size> | ||
| Zeile 13: | Zeile 13: | ||
<item> | <item> | ||
<text>MO228</text> | <text>MO228</text> | ||
<script>isoSurface rot - | <script>isoSurface rot -isoval 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> | ||
<item> | <item> | ||
Version vom 23. Juli 2010, 17:01 Uhr
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; isoval=0.02;
</script>
<size>600</size>
</jmolApplet>
<jmolMenu>
<item>
<text>MO228</text>
<script>isoSurface rot -isoval 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>