molecular orbital theory
英 [məˈlekjələ(r) ˈɔːbɪtl ˈθɪəri]
美 [məˈlekjələr ˈɔːrbɪtl ˈθiːəri]
分子轨道理论
双语例句
- The spatial configurations and bonding effects of Oxides of Nitrogen were explained by using the Valence-shell Electron Repulsion Theory, Hybrid-orbital Theory and Molecular orbital Theory.
用杂化轨道理论和分子轨道理论阐明了氮的氧化物成键类型，给出了分子空间构型及结构数据的解释。 - A Molecular Orbital Theory Study on the Variation of the Core Symmetry of the Tetranuclear Early Transition-Metal Clusters
前过渡金属四核原子簇簇骼对称性变化的分子轨道理论研究 - And what I want to point out that we just figured out for molecular orbital theory, is that o2 is a biradical, because remember, the definition of a radical is when we have an unpaired electron.
我要指出的是，我们刚利用分子轨道理论，指导了O2是二价自由基，因为记住，自由基的定义是，有个未配对的电子。 - Determination of the Choice of Slip Systems for bcc Metals by Molecular Orbital Theory
体心立方金属滑移系选择的分子轨道理论判别 - So in molecular orbital theory, what we did was we named orbitals based on their symmetry.
在分子轨道理论中，我们基于轨道的对称性给它们命名。 - But let's go ahead and start our discussion in terms of molecular orbital theory.
让我们从，分子轨道理论开始讲起。 - Whereas in molecular orbital theory, what I'm telling you is instead we understand that the electrons are spread all over the molecule, they're not just associated with a single atom or a single bond.
而在分子轨道理论里，我要告诉你们的时，我们任为电子分布在整个分子中，它们不仅仅是和，一个原子或者一个键有关。 - Today we're talking about molecular orbital theory.
今天我们要讲的是分子轨道理论。 - So, molecular orbital theory, on the other hand, is based on quantum mechanics.
另一方面分子轨道理论，是基于量子力学的。 - We have accurately determined the coupling constant between the molecule and electrodes by using the frontier molecular orbital theory and the perturbation method.
利用分子前线轨道理论和微扰方法定量地确定了分子与金属的相互作用能参数。 - Polypyrrole was studied by quantum chemistry method of simple molecular orbital theory. The result was quite coincident with the conjecture.
采用简单分子轨道理论的量子化学方法对聚吡咯进行了研究.计算结果表明，聚吡咯膜电极的氢离子响应机理与推测的结论相吻合。 - Molecular Orbital Theory of Bond Order and Valency
键级和化合价的分子轨道理论 - Application of molecular orbital theory to analysis of phase stability for alloys
分子轨道理论在分析合金相稳定性方面的应用 - Some effects on molecular natures caused by Slater exponent in semi empirical molecular orbital theory
半经验分子轨道理论中Slater轨道指数对分子性质的一些影响 - The Perturbation Molecular Orbital Theory and Diels-Alder Reaction
微扰分子轨道理论与Diels-Alder反应 - In the molecular orbital theory, the molecule of the conjugated hydrocarbons considered generally can be represented in carbon-atom skeleton graph, the character of this kind of graphs is that all vertices have degree no greater than three and have a perfect matching.
在分子轨道理论中，所考虑的共轭碳氢化合物的分子常用碳原子骨架图来表示，此类图的特征是所有顶点的度不超过3，并且具有完美匹配。 - A physical model for calculating cation stabilization energies in chrome spinels has been proposed. Based on classical and quantum mechanics, this model embodies the crystal field theory and the molecular orbital theory.
本文提出了一种计算铬尖晶石阳离子占位稳定能的物理模型，它的理论基础是经典力学和量子力学，这种模式包括了晶体场理论和分子轨道理论。 - This paper deals with the nucleophilic reactivity of penicillins and structural activity relationship by using molecular orbital theory.
本文用分子轨道理论研究了某些青霉素类抗生素的亲核活性。 - The derivation of the odd-even rule for excited state pericyclic reactions from h ü uckel molecular orbital theory
从Hückel分子轨道理论导出激发态周环反应的奇偶定则 - In this paper, Extended Huckel Molecular Orbital Theory ( EHMO) and Complete Neglect Differential and Overlap Method ( CNDO/ 2) are used to calculate chemical reactivity indices of paraffins and their radicals.
本文采用广义休克尔法（EHMO）与全略微分重叠法（CNDO/2）计算了链烷烃及其自由基的反应活性指标。 - Resonant structures appeared in the excitation functions for the~ ( 16) O+~ ( 20) Ne elastic scattering have been studied by using the nuclear molecular orbital theory. The theoretical results agree well with the experimental data.
~（16）O+~（20）Ne弹性碰撞的激发函数呈现出共振结构，基于核分子轨道理论对共振结构进行了研究，理论结果与实验数据很好的一致。 - Study of NO Adsorption on TiO_2 ( 110) Surface by Molecular Orbital Theory
用分子轨道理论研究NO气体在TiO2表面吸附 - The mechanisms and rate constants of four hydrogen abstraction reactions of with CHa, H, O [ 3P] and OH are investigated by using ab initio molecular orbital theory and the variational transition state theory.
用从头算方法和变分过渡态理论研究了CH2O和CH3、H、O[~3P]、OH等自由基吸氢反应的反应机理和速率常数。 - The perturbation molecular orbital theory and the reactivity and regioselectivity of 1, 3-dipolar cycloaddition
微扰分子轨道理论与1,3-偶极环加成反应的反应性和区域选择性 - This paper analyzes shell electron pair repulsion theory, valence-bond theory and molecular orbital theory on molecular structure of noble gas compounds.
对稀有气体化合物的分子结构分别用价层电子对互斥理论、价键理论和分子轨道理论进行了分析处理。 - The active atoms and bonds of reaction were provided by frontier molecular orbital theory.
用前线分子轨道理论分析了反应的活性原子和活性键。 - Perturbational molecular orbital theory and program using TRS-80 micro-computer system
微扰分子轨道理论和应用于TRS&80微型计算机系统的PMO程序 - Molecular Orbital Theory Studies on Bond Energy I. Theoretic Equation
键能的分子轨道理论研究Ⅰ.理论公式