orbital electron

Based on molecular orbital method and LCAO-MO, the text computes the molecular orbital wave function with the Huckel molecular orbital method, gets the six π bond electron ′ s eigenfunction and eigenvalue of benzene.

本文在分子轨道法和分子轨道的原子线性组合法的基础上采用huckel近似，对苯环的分子轨道波函数进行了计算，得出了苯环的6个π键的原子轨道波函数和本征值。

Atomic-Orbital Energies and Atomic Electron Configuration

能级图与原子的电子构型

Frontier molecular orbital theory consideration for electron transfer process across sulfide mineral-solution interface

硫化矿－溶液界面电子转移的前线分子轨道理论讨论

Search for heavy neutrinos in orbital electron capture

在轨道电子俘获中寻找重中微子

It is found that the conjugated plane made up of the amine group and benzene ring is of the active position, and HOMO and LUMO of eight compounds are π-molecular orbital with lone pare electron.

研究表明，这些添加剂胺基和苯环形成的共轭平面构成了活性部位，其HOMO和LUMO均为π-分子轨道。

Based on the hybridized orbital theory and electron partnership theory, a method for predicting molecular geometries is proposed Using it, the geometries of molecules with AB_n can be predicted simply and correctly.

本文研究的预测分子空间构型的方法是以杂化轨道理论为基础，根据电子配对原理，简明、准确地预测ABn型分子的空间构型。

What ′ s more, the study on molecular orbital implied that the electron transition from the electron donators to electron acceptors of conjugate system resulted in their visible absorption maxima.

分子轨道的研究表明，这些化合物的最高可见吸收波长主要对应着共轭体系中给电子体到受电子体的电子跃迁。

Matrix of the spin-orbital interaction for the 4P JF states is given by the this paper, that is belonged to the d3 electron systems.

本文给出了强场方案中d3电子系的最大自旋多重态4F、4P的自旋轨道耦合相互作用能量矩阵。

The molecular orbital level and electron spectrum peek of nanocluster are calculated. The results show that the ionization energy is 1.862~ 1.875 keV, which are in agreement with the experiment results.

根据Koopmans定理，计算了纳米粒子簇的分子轨道能级，得到了电子能谱峰的位置，理论计算Si在1s的电子电离能为1.862～1.875keV，其尺寸效应与实验结果的变化趋势一致。

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。

A top of circumfluent current is introduced, which can effectively demonstrate that the orbital magnetic moment of electron precesses in the external magnetic field, and the existence of eddy current the corresponding analysis is given.

给出一种可有效地演示电子轨道磁矩在外磁场中的进动规律的环电流陀螺，以及演示涡流存在的导体陀螺，并给出了相应分析。

The conductance characteristics of the pentacene molecular tap with the metal electrodes has been researched theoretically by considering only one π orbital electron per carbon atom.

在考虑到Pentacene分子的碳原子中的唯一个活跃的π电子的情况下，从理论上研究了两端接有金属电极的Pentacene分子带的Ballistic传导特性。

A new method for the explaining of electrocyclic reaction Orbital conversion electron filling

电环化反应选择性规律的一种新解释&轨道转化-电子填充法

A calculation of the energy for spin orbital interaction in D3 electron systems

d~3电子系中自旋轨道相互作用能量矩阵的计算

Investigated of Valence Orbital Electron Structure for C_4H_10

C4H（10）分子的价电子的结构研究

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。

Due to the strong correlation among spin, electron and orbital degree of freedom, doped perovskite manganites exhibit unusual magnetic and electronic properties, such as colossal magnetoresistance, charge ordering ( CO), orbital ordering, phase separation ( PS) and so on.

掺杂的钙钛矿锰氧化物由于其自旋、电荷及轨道自由度间的强关联作用而具有特殊的磁、电性质，如：庞磁电阻效应，电荷有序，轨道有序，相分离等。

In the nonlinear case, we find that the spin-orbital coupling may enhance the electron cooling, a clear saturation of spin polarization appears at high electric field, and the maximum y component of spin polarization the system can reach is limited by the spin-split strength.

在强场情况下，我们发现耦合能够增强电子冷却效应并且使得自旋极化出现平台结构，同时自旋极化的最大值是受材料耦合的限制的。

So what that means is that we're limited in any atom to having two electrons per orbital, right, because for any orbital we can either have a spin up electron, a spin down electron, or both.

这意味着在一个原子内，每个轨道上可以有两个电子，对吧，因为对任何轨道，我们可以有自旋向上或者自选向下或者两者都有。