How to perform a SOC calculation in a open shell system using ORCA?

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I would like to ask the explanation why lower concentration has better percent inhibition compared to higher concentration in MTT Assay?

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Nelson David Arias Olivares

You could take a look at this:

https://www.orcasoftware.de/tutorials/spec/SOC.html

Arup Sarkar

Check out this manual

https://cec.mpg.de/fileadmin/media/Forschung/ORCA/orca_manual_4_0_1.pdf

Also check the supporting info of these two papers:

Article Challenges in Multireference Perturbation Theory for the Cal...

Article Ligand Field Theory and Angular Overlap Model Based Analysis...