The geometries, vibrational frequencies and the singlet point energy of all stationarypoints on potential energy surface (PES) are obtained.
得到该反应势能面上的各稳定点的几何构型、振动频率和单点能等信息。
2
The imaginary vibration model of transition state is studied chiefly, and points to reactant and product, and illuminates that stationarypoints locate the right reaction channel.
重点研究了过渡态的虚振动模式,它指向反应物和产物,说明这些驻点均位于正确的反应途径上。
3
Secondly, the stationarypoints of the LCCM cost function are analyzed to demonstrate that the LCCMA attempts to suppress multipath of the desired user's signal rather than exploit it.