- Assuming i'll be using some sort of solvation model
- It's a rather large system
-How many steps are involved?
First you have to do CIS optimization of the molecule. After getting a CIS optimized Structure, you have to do TDDFT calculation from there you will get a fluorescence spectrum of the molecule.
This may help you.
Shouldn't i optimize a chosen excited state as well, and get its the vertical emissions?
Approximate concentrations are require in compared with the WHO permissible limts
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