CH_4+OH相关论文
用从头算方法计算了反应CH_3+H_2O→CH_4+OH的反应途径、沿反应途径的动态学性质及正则变分过渡态理论的速率常数。结果表明,电子......
The reaction path, the dynamical properties along the reaction path and CVT rate constants are computed by the ab initi......
