SiMe3-3,1,2,4-Benzothiaselenadiazines
The geometries
were optimized by DFT (Priroda program, PBE functional, L1 relativistic basis (Λ01, cc-pVDZ analog)).
On figure(s) below click on the level title to download xyz file |
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Click on energy level to view 3D structure in browser (run JSmol) |
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IRC (concatenated xyz) from
3Si1H-1Si,
1Si-6Si and
1Si-3Si
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