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- W2032805514 abstract "Density functional theory (DFT/BP86) and the Polarizable Continuum Model (PCM/acetonitrile) for solvation have been applied to investigate the methyl transfer reaction from CH3I to Ni(PPh2CH2CH2SEt)2. Two different mechanisms were considered: SN2 and radical one. The reaction paths for both examined mechanism were determined, and the geometries of possible substrates and products were compared." @default.
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- W2032805514 date "2013-03-01" @default.
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- W2032805514 title "Methyl transfer reaction between MeI and Ni(PPh2CH2CH2SEt)2 complex. A DFT study" @default.
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