The theoretical study of one-carbon unit transfer with H2O participation from imidazolidine to dUMP analogue

The ONIOM quantum mechanics method is used to study the reaction of one-carbon unit transfer from an imidazolidine to 6-aminouracil model with the participation of water molecules. The computation results show that in this reaction the participation of H2O molecule makes the energy barrier lower because of the H-bond interaction.