Luis Miguel Azofra et al.
Physical chemistry chemical physics : PCCP, 15(33), 14026-14036 (2013-07-19)
The mechanism of the S(N)2 model glycosylation reaction between ethanol, 1,2-ethanediol and methoxymethanol has been studied theoretically at the B3LYP/6-311+G(d,p) computational level. Three different types of reactions have been explored: (i) the exchange of hydroxyl groups between these model systems;