Search
Now showing items 1-1 of 1
The mechanism of methanol decomposition by CuO. A theoretical study based on the reaction force and reaction electronic flux analysis
(Springer, 2010-10)
A theoretical study of methanol decomposition
using a model representing the initial step of the reaction
CH3OH + CuO → CH2O + H2O + Cu is presented.
Theoretical calculations using B3LYP/6-31 G along with
Lanl2DZ ...