Author/Authors :
Zhou، نويسنده , , Zhengyu and Cheng، نويسنده , , Xueli and Zhou، نويسنده , , Xinming and Fu، نويسنده , , Hui، نويسنده ,
Abstract :
All species involved in the multi-channel reaction of CH3O with CO have been optimized utilizing the Gaussian94 procedure package at the B3LYP/6-311++G** level. The vibrational mode analysis is used to elucidate the relationships of the transition states, intermediate and the products. The extensive investigation shows that the reaction mechanism is reliable.
