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Topic: Energy and structure  (Read 2837 times)

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Offline mir

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Energy and structure
« on: May 10, 2006, 04:53:19 AM »
Funny, Im running a statistical analysis on a collection of molecules. The structure and electrostatics doesnt seem to correlate with the frontier orbital energy levels (HOMO, LUMO, LUMO+1 etc.).

How can that be possible?
« Last Edit: May 10, 2006, 06:33:36 AM by mir »
No single thing abides, but all things flow.
Fragment to fragment clings, and thus they grow
Until we know and name them.
Then by degrees they change and are no more
The things we know.
- Titus Lucretius Carus

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