NiPorph Nitropy Orbitale des Stammsystem: Unterschied zwischen den Versionen
Zur Navigation springen
Zur Suche springen
| (8 dazwischenliegende Versionen desselben Benutzers werden nicht angezeigt) | |||
| Zeile 1: | Zeile 1: | ||
== Orbitale des Nitropy NiPorph 1:1 Tripletts == | == Orbitale des Nitropy NiPorph 1:1 Tripletts == | ||
Density-Plots mit | |||
{| | |||
! Density !! Isovalue | |||
|- | |||
|Orbitale || -0.02 .. 0.02 | |||
|- | |||
|SD || 0.002 | |||
|- | |||
|TD || 0.05 | |||
|} | |||
=== LUMOs === | |||
[[Datei:Nitropy NiPorph 1-1 Triplett - LUMOs.png| 800px]] | |||
=== HOMOs === | |||
[[Datei:Nitropy NiPorph 1-1 Triplett - HOMOs.png| 800px]] | |||
=== Spin-Density === | |||
[[Datei:Nitropy NiPorph 1-1 Triplett - SD.png| 800px]] | |||
=== Total Density === | |||
[[Datei:Nitropy NiPorph 1-1 Triplett - TotalDensity.png| 800px]] | |||
=== Cubefiles === | === Cubefiles === | ||
[http://134.245.135.211/mediawiki_upload/HOMO-10_45a1_a.cub HOMO-10_45a1_a.cub]] | [http://134.245.135.211/mediawiki_upload/HOMO-0_21a2_a.cub HOMO-0_21a2_a.cub] | ||
[http://134.245.135.211/mediawiki_upload/HOMO-10_45a1_a.cub HOMO-10_45a1_a.cub] | |||
[http://134.245.135.211/mediawiki_upload/HOMO-11_19a2_b.cub HOMO-11_19a2_b.cub] | |||
[http://134.245.135.211/mediawiki_upload/HOMO- | [http://134.245.135.211/mediawiki_upload/HOMO-12_19a2_a.cub HOMO-12_19a2_a.cub] | ||
[http://134.245.135.211/mediawiki_upload/HOMO- | [http://134.245.135.211/mediawiki_upload/HOMO-13_44a1_a.cub HOMO-13_44a1_a.cub] | ||
[http://134.245.135.211/mediawiki_upload/HOMO- | [http://134.245.135.211/mediawiki_upload/HOMO-14_25b1_b.cub HOMO-14_25b1_b.cub] | ||
[http://134.245.135.211/mediawiki_upload/HOMO- | [http://134.245.135.211/mediawiki_upload/HOMO-1_46a1_a.cub HOMO-1_46a1_a.cub] | ||
[http://134.245.135.211/mediawiki_upload/HOMO- | [http://134.245.135.211/mediawiki_upload/HOMO-15_33b2_b.cub HOMO-15_33b2_b.cub] | ||
[http://134.245.135.211/mediawiki_upload/HOMO- | [http://134.245.135.211/mediawiki_upload/HOMO-2_45a1_b.cub HOMO-2_45a1_b.cub] | ||
[http://134.245.135.211/mediawiki_upload/HOMO- | [http://134.245.135.211/mediawiki_upload/HOMO-3_34b2_b.cub HOMO-3_34b2_b.cub] | ||
[http://134.245.135.211/mediawiki_upload/HOMO- | [http://134.245.135.211/mediawiki_upload/HOMO-4_26b1_b.cub HOMO-4_26b1_b.cub] | ||
[http://134.245.135.211/mediawiki_upload/HOMO- | [http://134.245.135.211/mediawiki_upload/HOMO-5_20a2_a.cub HOMO-5_20a2_a.cub] | ||
[http://134.245.135.211/mediawiki_upload/HOMO- | [http://134.245.135.211/mediawiki_upload/HOMO-6_20a2_b.cub HOMO-6_20a2_b.cub] | ||
[http://134.245.135.211/mediawiki_upload/HOMO- | [http://134.245.135.211/mediawiki_upload/HOMO-7_44a1_b.cub HOMO-7_44a1_b.cub] | ||
[http://134.245.135.211/mediawiki_upload/HOMO- | [http://134.245.135.211/mediawiki_upload/HOMO-8_34b2_a.cub HOMO-8_34b2_a.cub] | ||
[http://134.245.135.211/mediawiki_upload/HOMO- | [http://134.245.135.211/mediawiki_upload/HOMO-9_26b1_a.cub HOMO-9_26b1_a.cub] | ||
[http://134.245.135.211/mediawiki_upload/ | [http://134.245.135.211/mediawiki_upload/LUMO+0_27b1_a.cub LUMO+0_27b1_a.cub] | ||
[http://134.245.135.211/mediawiki_upload/LUMO+ | [http://134.245.135.211/mediawiki_upload/LUMO+10_29b1_a.cub LUMO+10_29b1_a.cub] | ||
[http://134.245.135.211/mediawiki_upload/LUMO+ | [http://134.245.135.211/mediawiki_upload/LUMO+11_29b1_b.cub LUMO+11_29b1_b.cub] | ||
[http://134.245.135.211/mediawiki_upload/LUMO+ | [http://134.245.135.211/mediawiki_upload/LUMO+12_47a1_a.cub LUMO+12_47a1_a.cub] | ||
[http://134.245.135.211/mediawiki_upload/LUMO+ | [http://134.245.135.211/mediawiki_upload/LUMO+1_27b1_b.cub LUMO+1_27b1_b.cub] | ||
[http://134.245.135.211/mediawiki_upload/LUMO+ | [http://134.245.135.211/mediawiki_upload/LUMO+13_47a1_b.cub LUMO+13_47a1_b.cub] | ||
[http://134.245.135.211/mediawiki_upload/LUMO+ | [http://134.245.135.211/mediawiki_upload/LUMO+14_23a2_a.cub LUMO+14_23a2_a.cub] | ||
[http://134.245.135.211/mediawiki_upload/LUMO+ | [http://134.245.135.211/mediawiki_upload/LUMO+15_23a2_b.cub LUMO+15_23a2_b.cub] | ||
[http://134.245.135.211/mediawiki_upload/LUMO+ | [http://134.245.135.211/mediawiki_upload/LUMO+2_46a1_b.cub LUMO+2_46a1_b.cub] | ||
[http://134.245.135.211/mediawiki_upload/LUMO+ | [http://134.245.135.211/mediawiki_upload/LUMO+3_35b2_a.cub LUMO+3_35b2_a.cub] | ||
[http://134.245.135.211/mediawiki_upload/LUMO+ | [http://134.245.135.211/mediawiki_upload/LUMO+4_28b1_a.cub LUMO+4_28b1_a.cub] | ||
[http://134.245.135.211/mediawiki_upload/LUMO+ | [http://134.245.135.211/mediawiki_upload/LUMO+5_35b2_b.cub LUMO+5_35b2_b.cub] | ||
[http://134.245.135.211/mediawiki_upload/LUMO+ | [http://134.245.135.211/mediawiki_upload/LUMO+6_28b1_b.cub LUMO+6_28b1_b.cub] | ||
[http://134.245.135.211/mediawiki_upload/LUMO+ | [http://134.245.135.211/mediawiki_upload/LUMO+7_21a2_b.cub LUMO+7_21a2_b.cub] | ||
[http://134.245.135.211/mediawiki_upload/LUMO+ | [http://134.245.135.211/mediawiki_upload/LUMO+8_22a2_a.cub LUMO+8_22a2_a.cub] | ||
[http://134.245.135.211/mediawiki_upload/LUMO+ | [http://134.245.135.211/mediawiki_upload/LUMO+9_22a2_b.cub LUMO+9_22a2_b.cub] | ||
[http://134.245.135.211/mediawiki_upload/ | [http://134.245.135.211/mediawiki_upload/sd.cub sd.cub] | ||
[http://134.245.135.211/mediawiki_upload/ | [http://134.245.135.211/mediawiki_upload/td.cub td.cub] | ||
=== 3D-Ansichten === | === 3D-Ansichten === | ||
Aktuelle Version vom 22. Dezember 2009, 14:22 Uhr
Orbitale des Nitropy NiPorph 1:1 Tripletts
Density-Plots mit
| Density | Isovalue |
|---|---|
| Orbitale | -0.02 .. 0.02 |
| SD | 0.002 |
| TD | 0.05 |
LUMOs
HOMOs
Spin-Density
Total Density
Cubefiles