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Molcas AO labeling (Read 2971 times)
Gerrit-Jan Linker
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Molcas AO labeling
01.04.11 at 18:05:24
Molcas AO labeling
1s: s  
2px: px  
2py: py  
2pz: pz  
3d2+: dx2−y2  
3d1+: dxz
3d0: dz2
3d1-: dyz
3d2-: dxy  
4f3+: fx3
4f2+: fz(x2−y2)
4f1+: fx(z2−y2)
4f0: fz3
4f1-: fy(z2−x2)
4f2-: fxyz
4f3-: fy3
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« Last Edit: 01.04.11 at 18:05:55 by Gerrit-Jan Linker »  

Gerrit-Jan Linker
Linker IT Software
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