Title : Role of the Axial Base in the Modulation of the Cob(I)alamin Electronic Properties: Insight from QM/MM, DFT, and CASSCF Calculations.

Pub. Date : 2011 May 10

PMID : 26610143






1 Functional Relationships(s)
Download
Sentence
Compound Name
Protein Name
Organism
1 It is found that the correlated ground state wave function consists of a closed-shell Co(I) (d(8)) configuration and a diradical contribution, which can be described as a Co(II) (d(7))-radical corrin (pi*)(1) configuration. corrin mitochondrially encoded cytochrome c oxidase II Homo sapiens