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Topic: HOMO & LUMO of Cl+  (Read 2846 times)

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Offline Darwin

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HOMO & LUMO of Cl+
« on: March 25, 2010, 01:25:05 PM »
Hi

I have searched the entire internet trying to find the orbital energies of HOMO and LUMO for the chlorine cation, Cl+, however, without any result. Also, Arguslab 4.0.1 seems to be unable to give any useful result (using PM3, open-shell).

Does anyone know where to find these orbital energies or (with reasonable approx.) how to calculate them?

Thanks,

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