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From Figs S4, in SI, and 8a, b,c, it is evident that the HOMO and LUMO molecular orbitals of the CASSCF(14,13) calculation structure, which include both methylcobalamin as a form of vitamin B12 and NADPH negative mono-anion as a common model, are very similar in composition
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Sample size was determined following Meads Rule [33]
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