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1·The chapter two introduces the theories which we use, mainly involving the molecular dynamics, the molecular potential energy function and molecular structures.

第二章介绍我们所要用到的理论知识，主要是涉及分子动力学，分子势能函数和分子结构。

2·The objective function in the model of prediction of protein structure is a potential energy function, either physics-based potentials or statistic-based potentials.

蛋白质结构预测模型的目标函数通常采用基于物理理论的经验势函数或基于统计理论的平均势能函数。

3·The contribution of shell structure to the potential energy function can be obtained from an analysis of relative energies of nucleonic configurations in a potential of given shapes.

通过分析在一给定形状的势能中核子组态的相对能量，可以得到壳结构对势能函数的贡献。

4·The spectroscopic constants of 20 kinds of molecule are calculated by using the potential energy function, and all the calculation results are in good agreement with experimental data.

利用该势能函数，计算了20种分子的光谱常数，结果表明所有理论计算值均与实验值符合得非常好。

5·Then, a new analytical potential energy function of diatomic molecule is proposed based on the ECM and applied to some electronic ground states and excited states of diatomic molecules.

在创立能量自洽法的基础上提出了一种新的双原子分子解析势能函数—ECM势，并将其运用到一些双原子分子的电子基态和激发态。

6·Changes in Gibbs free energy, changes in the chemical potential. Everything will be related to this partition function. This subsystem.

吉布斯自由能和化学势的变化，一切都，由这个子系统决定。

7·So if I make a plot of the gravitational potential energy as a function of y, then I would get a straight line.

因此如果我画一张,重力势能,受y变化的图，那么会得到一条直线。

8·That's exactly right, y0 because then the distance R between here and the y zero is R, so this is the potential energy as a function of angle theta.

它非常正确，因为这样，这里和,的距离是，因此这是势能,关于θ的变化。

9·With an example of eccentric column capacity, a potential function that satisfies the boundary conditions is formed to obtain corresponding electromagnetic field and its energy density.

文章以偏心圆柱电容为例，通过构造一个满足边界条件的势函数，进而得到相应的静电场和电场能量密度。

10·The ground state wave function can be expressed as a series of integrations along the trajectory and the energy as a series of differentials at the minimum of the potential.

基态波函数可以表示为沿这条确定轨迹的一系列积分，而能量则可以用位势极小值处的一系列微分表示。