Reference: Pyo HK, Yoo HG, Jung SY, et al
Retrieved 17 May 2021
The MCSCF method revealed that the mixing of orbitalsthose occupied by electrons and those unoccupied [92]leads to a significant transfer of electron densities [93,94,95], and even electrons [96, 97], from biological substrates to vitamin B12 cofactors, as well as to the intermolecular orbitals formed between the cofactors and active substrates [93,94,95], aligning theoretical results with experimental observations [2, 90]

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