Institute of Chemistry of the Academy of Sciences of Moldova Larisa Postolachi chemjm_correspondence@yahoo.com mEDRA 20161225

07 10.19261/cjm.2016.11(1).01 http://www.cjm.asm.md/sites/default/files/article_files/ChemJMold201611(1)_10-20_Spataru.pdf Institute of Chemistry of the Academy of Sciences of Moldova mEDRA 01 Institute of Chemistry of the Academy of Sciences of Moldova MD 07 1857-1727 JB 07 2345-1688 JD 11 1 June 2016 01 201606 1 12 10 20 11 1 A01 Tudor Spataru Spataru, Tudor Tudor Spataru 2 A01 Francisco Fernandez Fernandez, Francisco Francisco Fernandez 01 eng 20 vitamin B12; mechanism; bio-catalysis; Pseudo-Jahn-Teller effect; DFT; MCSCF 01 No grounded mechanisms for Co-C vitamin B12 coenzyme bond breaking process and subsequent reactions have been found up to now. The influence of the mixing orbitals e.g. Pseudo-Jahn-Teller and similar effects on the reactions paths of bond-cleavage mechanisms of vitamin B12 co-factors must be taken into account. 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