potential energy surface

Potential Energy Surface: On the basis of the analysis of the potential energy surface the character of the electron transfer reaction, the component of the potential energy surface and the key factors that affect the potential energy have been pointed out.

势能面（Potential Energy Surface）：在分析电子转移反应势能面特征的基础上指出了反应势能面所包含的主要成分以及影响势能面的主要因素。

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On the ground state potential energy surface , a conical intersection produces the geometric phase effect.

锥形交叉可以通过几何相效应影响核动力学.

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A two-dimensional potential energy surface was presented to show the direct dissociation.

我们使用一二维的位能面来描述这个直接分解化学吸附过程.

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Potential mechanism for response of El Ni ? o – Southern Oscillation variability to change in land surface energy budget.

埃尔尼诺-南方涛动的变化对陆地能量收支改变响应的可能机制.

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The energy of electric field and thermal action has influence on transient pore's formation, and electric energy has relation with transmembrane potential on the surface of cells, also plays a decisive role in transient pore's formation.

细胞膜表面产生的微孔取决于电场和热运动的能量，其中电场能量是与细胞膜的跨膜电位相关的，对微孔的形成起着决定性的作用。

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Minimal potential energy method for analyzing slope stability of arbitrary sliding surface on a single stratum

单一地层任意滑移面的最小势能边坡稳定性分析方法

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Vibrational mode analysis shows only one adduct is a local minimum, and from the potential energy surface it also has the lowest energy.

振动模式分析表明，只有一种加合物是稳定的，势能面也证实了这一点。

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Potential energy surface ( PES ) is a basis of molecular reactive dynamics.

势能 面是分子反应动力学的基础,研究势能面的意义非常深远.

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Illustrating Molecular Reaction on Potential Energy Surface

分子反应的势能面图示

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The potential energy surface with zero-point energy correction is drawn.

经过零点能校正后能位面被作了出来.

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From these results, the potential function, which contains both ionic and covalent interaction, was established. In order to fit the parameters of the potential function, and the energy surface of these systems was constructed by energy simulation.

基于此，本文建立了能同时反映离子型与共价型相互作用的势函数，并通过体系总能量模拟建立的势能曲面拟合了其他参数。

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Potential energy surface is not only the cornerstone of chemical reaction dynamics, but also one of the core issues in theoretical and computational chemistry.

势能面是精确研究反应动力学的基石，也是理论与计算化学的核心课题之一。

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Collinear Exact Quantum Scattering Study& Vibrational Deactivation of H+ ClH ( v) on a Reactive Potential Energy Surface

一维精确量子散射研究&H+ClH（u）在反应势能面上的振动去激

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Using this method the reaction potential energy surface of other stationary points were optimized geometries, has been the result of a transition state and one intermediate.

运用这种计算方法对反应势能面上其它驻点进行几何构型优化，得到了的一个过渡态结果和一个中间体。

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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。

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Use various methods to the reaction potential energy surface of reactants and products geometry optimized configuration, by comparison, established QCISD/ 6-311++ G ( d, p) method for the optimal method.

使用多种方法对该反应反应势能面上的反应物和产物构型进行几何优化，通过比较，确定了QCISD/6-311++G（d，p）方法为最优方法。

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