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The objectives of this paper are to study a new simple calculation of elements' electronegativity and bond energy in double-atom molecules and to explore its physical significance.

研究了电负性和双原子分子键能的一种简单算法,并对其物理意义作初步探讨。

A universal analytic potential energy function is derived using the cosine function with a phase factor,which is suitable to be applied to the interactions between two atoms in a molecule or molecule and ion.5 kinds of common potential curves are obtained by adjusting phase factors.

利用一种带相位因子的余弦函数,导出了适用于双原子分子或分子离子间相互作用的普适性解析势能函数,通过调节相位因子可获得5种常见形态的势能曲线。

At the same time, it provides drawing procedure of VB so that it can draw pictures of the other wave function of the diatomic molecule and the picture of electronic cloud if do some changes to the procedure.

本文研究了绘制锂化氢分子波函数和电子云图形的方法,并给出了VB绘图程序,对程序略加求改,可以绘制其他双原子分子的波函数和电子云图形。

In the first four sections of this paper, these basic knowledge and calculational methods for the study of potential energy function are simply introduced. 9-parameter Murrell-Sorbie analytical potential energy function that can accurately describe especial potential energy function of diatomic molecule is obtained through calculations and analysis for the first time.

本文前面部分在简单介绍与分子势能函数研究相关基础理论知识和计算方法的基础上,通过计算、分析比较,首次得到了能够正确描述双原子分子特殊势能曲线的九参数Murrell-Sorbie解析势能函数。

A front part of this paper is special potential function of diatomic molecules, and the other is atomic potential in a field.

本论文将分别就双原子分子特殊势能函数和激光场中的原子势场这两个方面的问题进行研究。

Itric oxide has abundant Rydberg and valence electronic states and is one of the most studied diatomic molecules.

O分子具有丰富的里德伯态和价态,它是人们研究最多的双原子分子之一。

By research of N2 in strong laser field, the characters of same nucleus diatomic molecular in extreme condition are found.

通过对强激光场作用下N2分子的研究,我们得到了在极端条件下同核双原子分子的动力学特点。

In this paper, the theoretical model of CQI is described in an atom-diatom system in the condition of the molecular beam, based on the first-Born approximation of time dependent perturbation theory, taking into accounts the anisotropic Lennard-Jones interaction potentials. The method of observing and measuring correctly the differential interference angle is presented. The relation between differential and parameter, velocity is obtained. The relation of the integral interference angle and temperature is discussed.

文中利用一阶含时波恩近似和L-J相互作用势,建立了原子-双原子分子碰撞系统转动传能的量子干涉模型,描述了观察和测量微分干涉角的方法,得到了微分干涉角与碰撞半径和碰撞速度间的关系,同时也得到了积分干涉角和实验温度的关系。

There are two parts in this dissertation. In part one, the reaction scattering for the H〓 system is studied using three-dimensional quantum mechanical coupled channel distorted wave approximation.

本文分两部分:第一部分用三维量子力学耦合通道扭曲波方法研究了三氢系统的反应散射;第二部分提出了一种原子与双原子分子相互作用的。。。

High-order harmonic radiation with noble gas and N〓 in static gas target has been obtained, and the effects on high-order harmonic efficiencies due to laser intensities , polarization, gas densities, confocal parameter, media characteristic and phase mismatch have been discussed. The experimental results show that the high-order intensities grow with the incident laser intensities and gas densities, and high-order harmonic signals amplify in the same time.

高次谐波辐射是强场物理中与电离过程相伴而生另一种重要过程,本文利用飞秒激光在静态气室中获得全部的稀有气体原子以及氮双原子分子5到21次的谐波发射,着重讨论了激光功率密度、激光偏振、气体密度、共焦参数、介质本身以及相位失配对高次谐波转换效率的影响。

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