势能

The optimized stable O3…ClOH chlorine bond complex and O3…HOCl hydrogen bond complex were found on the potential energy surface using density function theory method at B3LYP/6-311++G** level.

在DFT-B3LYP/6-311++G**水平上分别求得O3…ClOH氯键复合物和O3…HOCl氢键复合物势能面上的稳定构型。

The two cubic potentials induce the static and the second-order harmonic parts of the discrete breathers with certain symmetry.

三次非线性势能函数的存在使系统中的离散呼吸子解具有特定对称性的直流和二阶简谐振动分量。

Stability of solutions of the cavitated bifurcation equation is discussed in each region by using the minimal potential principle, and the catastrophic phenomenon of cavity formation is explained. 2. In Chapter 4, problems of cavitated bifurcation for two spheres, which are composed of two different kinds of imperfect compressible hyper-elastic materials, were examined, respectively. The parametric analytic solutions of the radially deformed function and the parametric cavitated bifurcation solutions are all obtained for the two spheres.

利用奇点理论给出了空穴分岔方程在分岔点的等价正规形，将缺陷参数分成若干个区域，证明了当缺陷参数属于某些区域时，具有缺陷的超弹性材料球体发生空穴分岔时的临界载荷比无缺陷的小；并利用最小势能原理讨论了空穴分岔方程的解在各个参数区域内的稳定性，解释了空穴生成的突变现象。

In chapter 5,thorough searches on the potential energy surfaces of 13 representative dipeptides are performed and structure characteristics of the stable conformers located were analyzed.

第5章中使用系统的构型寻找方法全面的研究了13种有代表性的二肽分子的势能面，并对所得到的稳定构型进行了结构特性的详细分析。

In chapter 6,thorough searches on the potential energy surfaces of 5 representative tripeptides are performed and structure characteristics of the stable conformers located were analyzed and compared with that of dipeptides.

第6章中使用系统的构型寻找方法全面的研究了5种有代表性的三肽分子的势能面，并详细分析了三肽构型的结构特点及其与二肽的差异。

However, MM can also provide important dynamic parameters, such as energy barriers between different conformers or steepness of a potential energy surface around a local minimum.

但是 MM 也能提供重要的动力学数据，例如不同构象之间的势垒或者势能面最小点附近的坡度。

But the conventional CoM FA exists some defects, including the selection of potential function of molecular field, the determination of bioactive conformers, the molecular alignment and the selection of variable of molecular fields, etc.

但传统的比较分子场分析方法在具体的实现过程中还存在着一些缺陷和不足，包括分子场势能函数的选择，活性构象的确定，分子的叠合以及分子场变量的选取等等。

Of course, potential energy doesn't only exist in crossbows.

当然，石弓不止有势能存在。

In this review we provide new application of variational transition state theory -inreaction at gas-solid interface ,with emphasis on dissociation absorption of gas-phase moleculeon the surface of face-centered cubic crystal.

提供了变分过渡态理论的新应用－用于气固界面上的反应，重点是气相分子在面心立方晶体上发生的解离吸附反应，给出了反应的物理图象，用新的势能面计算了H＿2在Ni（100）面上的解离吸附的速率常数，结果与Truhlar的结果相符。

In this paper the curved spine box girder was taken as a research object,and the shear displacement difference function of large flange plate was put forward.

以曲线脊骨箱梁为研究对象，提出了长悬臂板的剪切位移差函数模式，建立总势能表达式，并应用变分原理导出求解曲线脊骨箱梁剪力滞的基本微分方程和边界条件。

In the negative and interrogative forms, of course, this is identical to the non-emphatic forms.

。但是，在否定句或疑问句里，这种带有"do"的方法表达的效果却没有什么强调的意思。

Go down on one's knees;kneel down

屈膝跪下。。。下跪祈祷