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In this dissertation, we study the rotational states of adsorbed diatomic molecules and some physical properties of quantum dots.

在本论文中,我们研究吸附双原子分子的转动能态和量子点的物理性质。

OF THE DISSERTATION The dynamic process of a diatomic molecule-silver crystal surf...

本文对双原子分子〓和Ag(110)单晶表面相互作用的动力学过程进行了系统的理论分析与计算。

Let us consider the implication of the electrostatic theorem for chemical bonding in diatomic molecules.

让我们讨论双原子分子化学成键所蕴含的静电定理。

The relation of Murrell-Sorbie potential parameters and spectrum date for diatomic molecules is got.

摘 要:导出了Murrell-Sorbie势能参数与双原子分子光谱数据的关系。

By means of such a parameterization, we have discussed bonding energies for diatomic molecules, reaction activities for organic pericyclic reactions and so on.

利用这种参数化方案,研究了双原子分子结合能和有机周环反应的反应活性等。

Molecular Spectra and Molecular Structure, Spectra of Diatomic Molecules.

用代数能量方法研究氢化物双原子分子的完全振动能谱和离解能。

OF THE DISSERTATION The dynamic process of a diatomic molecule-silver crystal surfaceinteraction has been investigated theoreticaly.

本文对双原子分子〓和Ag(110)单晶表面相互作用的动力学过程进行了系统的理论分析与计算。

Studies show that the ECMI method produces most accurate potentials for these ionic states, and that the ECMI not only obtain accurate potentials near equilibrium internuclear distance, but also generate correct potential data in the ionic asymptotic and dissociation region where other methods may fail or may give less accurate results.

将获得的ECMI势能曲线与用其他理论方法得到的势能曲线进行的比较表明,ECMI得到了这些态的最好势能,而且ECMI势不仅能获得平衡核间距附近的精确势能,还能得到其他方法往往难以得到的双原子分子离子渐进区和离解区的正确势能。

The ease of Murrell - Sorbic potential function is detailed in this paper. As numericalresults, the problems of molecules CO and N2 are considered to show the validity of the approach.

并详细讨论了Murrell-Sorbie势能函数下该方法的具体表达式,同时以双原子分子一氧化碳和氮气为例进一步说明该方法的有效性和正确性。

With the adoption of basic principles of quantum chemistry and Sonderson's theory of the relationship between elements' electronegativity and their valences, assumptions and models are made to deduce some simple calculations.

根据Sonderson提出的元素的电负性与它们的价态的关系,按照量子化学的基本原理和提出的假设和模型,推得电负性和双原子分子健能的简单计算公式。

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