价键理论

由于固体中多原子相互作用势能函数的建立和原子状态构造原则的提出，Pauling的金属价键理论已发展到一个定量的精确化的水平。

It has been pointed out that Pauling 's valence bond theory of metals has been developed to a quantitative and accurate level due to the establishment of a new potential function with many atom interactions and advance of principles of construction for atomic states in solids .

价键理论的不变式方法的新算法

A New Algorithm for the Permanent Approach to Valence Bond Theory

用余氏金属价键理论计算了Fcc基有序Al－Li金属间化合物的键参量和原子间成键的电荷偏移量。

The bonding parameter and charge deviation of Fcc base ordered Al Li intermetallic compounds have been calculated by using metal valence bond theory .

Fe-Co合金晶格参量、原子磁矩及比热特性的价键理论分析

Valence bond theory analysis on the lattice parameters , atomic magnetic moments and characters of specific heat in Fe Co alloys

依照价键理论分析可知构成微斜长石和白云母骨架结构的Si-O和Al-O键的化学性质稳定。

The results showed that chemical properties of the Si-O bond and Al-O bond of the skeletal structure of microcline and muscovite were stable relatively .

全片层组织TiAl-Nb合金屈服强度的价键理论计算

Yield Strength Calculation of Fully Lamellar TiAl - Nb Alloys with Valence - Bond Theory

并结合配位场理论和价键理论解释了Cr-Al异金属配合物不稳定的原因。

LFT ( ligand field theory ) and VBT ( valence bond theory ) are applied to elucidate why Cr-Al complexes is not enough stable in solution .

硼团簇与环丙烷芳香性的价键理论方法研究

A Valence Bond Study of the Aromaticity of Boron Clusters and Cyclopropane

从价键理论到协同单元理论鞣制机理的发展

From bonding theory to cooperating units theory The development of tanning mechanism

试论价键理论和晶体场理论的统一性

Unitarity of valence bond theory and crystal field theory

轮烯稳定性的价键理论研究

Valence Bond Study of the Stability of Cyclenes

现代价键理论研究进展

Progress in Modern Valence Bond Theory

价键理论中的组态相互作用

Configuration Interaction in Valence Bond Theory

本文根据价键理论导出了一个有机化合物的分子总通式。

Based on the valence bond theory , a general molecular formula for organic com - pounds is derived .

概述现代价键理论的几个主要方法，以及它们的特点和发展现状。

In the present paper a brief review is given to some important approaches of modern valence bond theory .

杂化轨道理论是现代价键理论的一部分，也是大学无机化学教学的一个难点。本文从原子轨道为什么需要杂化；

Theory of hybrid atomic orbital is part of modern valence bond theory and a difficult point in inorganic chemistry teaching .

膜层的非线性极化率的改变可用原子基团和价键理论解释。

Changes of the nonlinear polarizability of the molecular layers can be explained by using the theory of atom-radical and valence bond .

尽管通常的价键理论可加以扩展以适用于这些化合物，但仍然有许多棘手的问题有待解决。

Although the usual bonding theories can be extended to accommodate these compounds , they still provide stimulating problems to be resolved .

将点电荷模型和有效价键理论结合起来，发展成点电荷－有效键价模型理论。

Ased on the combination of the point-charge-model and the concept of effective bond valence , a new theory of point-charge-effective-valenc was developed .

根据量子力学的价键理论解释了质子酸束在碰撞干酪根裂解过程中的顺序和方式；

The sequence and the mode in which the proton bundles impact the kerogen cracking in terms of valence bond theory of quantum mechanics are explained ;

基于价键理论，建立了阳极键合的机理模型，进一步得到键合过程的外电路电学特性与键合质量的内在关系。

The physical model for anodic bonding is constructed base on valence bond theory , and the essence relationship between bond result and circuit character is obtained .

结构歧义性产生的主要原因，是有些化合物能够用多种都满足价键理论的结构式来表示和有的歧义结构不能用数学上的图来明确表示。

The main causes of the ambiguity are ( 1 ) some molecules can be represented by more than one chemical structures which all obey rules of Valence Bond Theory and ( 2 ) certain structures are not mathematically graphs .

用价键理论模型的不相交规则对He+2+基态的势能曲线极大点产生的原因做了较好的分析。

The spectroscopic constants corresponding to these three states are worked out , and the origin of the energy barriers in the ground states X1 Σ + g energy curve has been explained using the avoided crossing rules of valence bond model .

单核络合物的电子结构&价键轨道理论处理

Electronic Structure of Mononuclear Complexes - Valence Bond-Molecular Orbital Treatment

第一章介绍了烷烃活化的意义和过渡金属有机化学，第二章概述了势能面、过渡态理论、密度泛函理论和自然价键轨道理论。

The first chapter describes the significance of alkane activation and transition metal organic chemistry . The second chapter provides an overview of the potential energy surface , transition state theory , density functional theory and natural bond orbital theory .

让我们用价电子成键理论来看一看甲烷。

So let 's think about methane using valence bond theory .

价电子成键理论，非常容易理解。

So the idea behind valence bond theory is very easy to understand .

我们现在可以考虑，怎么在价电子成键理论中描述这个键。

So , we can think about now how do we describe this bond in valence bond theory .

在这之前我们要引入价电子成键理论，和杂化轨道的概念。

And to do this we 're going to introduce valence bond theory , and the idea of hybridization of orbitals .

利用简单的价电子成键理论，我们预计，要把所有甲烷中没有配对的电子，和氢原子中没有配对的电子配对来形成键。

So , using our simple valence bond theory , what we would expect is that we want to pair up any unpaired electrons in methane with unpaired electrons from hydrogen and form bonds .