If you are trying to do gas phase spectra, then use QM programs as Dave
suggested. If you are trying to do solution phase spectra you might check
papers from Jim Skinner's group and Steve Corcelli's group. This is not
easy and they have done quite a bit of development on it.
Cheers,
Brent
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Received on Sat Nov 26 2016 - 14:00:03 PST
