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How can I use unrestricted version of PBE0-D3(BJ), wB97x-D or TPSSh for paramagnetic radicals? Thanks a lot!
I want to explore an alkyl radical capture by a Ni(II) species and that would form Ni(III) complex which would eventually undergo C(sp3)-C(sp3) reductive elimination. I wanted to see how the optimized transition state would look like for those functionals (not single points) in gaussian16, except for the fact that I tried UB3LYP-D3 and UM06-D3 already. Any help would be appreciated.
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