The potential energy surface used in the calculation is the one in mass-weighted coordinates.
计算中应用质量加权坐标系下的势能面。
The geometries, vibrational frequencies and the singlet point energy of all stationary points 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。
In this MCAI course ware, the potential energy surface of a bimolecular reaction system that is composed of three atoms has been described figuratively.
在此课件中，一个由三原子组成的双分子反应体系的位能面被形象地表达出来。
The characteristics of the potential energy surface in the region far away from the collinear geometry have a large influence on the title reaction dynamics.
势能面上远离共线型构型的区域特征对此反应的动力学有着较大的影响。
This article introduce the "cap yield curve model", simplify the cap yield surface and plastic potential energy surface by ellipse and circle, and get a new justify condition.
本文通过引入帽子屈服曲面，并对帽子曲面和塑性势能曲面用椭圆函数和圆函数形式进行了简化，从而得到了新的判定条件。
There exist the charging effects because of charge accumulation at the surface of dielectric, which decrease the dielectric surface potential and the ion implant energy.
在介质表面存在电荷积累引起的充电效应，这降低了介质表面电势和离子注入能量；
High energy heavy ions generate potential tracks on the face of insulated material, and a porous surface with gradient refractive index can be formed by etching the ion tracks.
高能重离子在绝缘材料表面产生的潜径迹经过蚀刻后形成一定形貌的核径迹孔，而密集的径迹孔表面相当于渐变折射率层。
A simple method for calculating the interaction force and interaction energy per unit area between two parallel flat plates particles in the case of constant surface potential was presented.
给出了两个平行平板颗粒处在恒电位条件时，相互作用力和相互作用能的简单计算方法。
A simple method for calculating the interaction force and interaction energy per unit area between two parallel flat plates particles in the case of constant surface potential was presented.
给出了两个平行平板颗粒处在恒电位条件时，相互作用力和相互作用能的简单计算方法。
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