杂化轨道

杂化轨道理论的研究[Ⅰ]sp杂化轨道的正交性

The study of hybrid orbital theory [ I ] the orthogonality conditions between S-P hybrid orbitals

NiCO由于Ni采用了ds杂化轨道，最优构形为直线结构。

In contrast , NiCO is linear structure which can be accounted for by the ds hybrid orbital .

杂化轨道是完全相等的，你会注意到它们的能量比s轨道高，比p轨道低。

And hybrid orbitals are all going to be completely equal , and lower in energy than the p orbital .

ML8型配合物中央体的σ杂化轨道及其波函数

Hybrid orbitals and its wave function of central atom in ml_8 complex

C（4v）ML5分子片的杂化轨道和轨道相互作用

Hybrid Orbitals and Orbitals Interactions of C_ ( 4V ) ML_5 Fragments

NMR偶合常数的从头算级别自然杂化轨道研究

Studies on the nuclear spin-spin coupling constants by using ab initio natural hybrid orbitals

本文借助最大重迭杂化轨道理论研究了卤代甲烷系列分子的NMR自旋-自旋偶合常数和核四极偶合常数与结构的关系。

The maximum overlap method was used to study the relationship between the spectral properties and molecular structure in the halomethanes .

BH3及其等电子分子片的杂化轨道和轨道相互作用

Hybrid orbitals and orbital interactions of bh_3 and its isoelectronic fragments

MX5型化合物杂化轨道的求算

The calculation of hybridizing orbits of mx_5 type compounds

用等效杂化轨道代替分子片的EHMO方法

The EHMO Method Substituted Molecular Fragments with Effective Hybrid Orbitals

这就形成了一个四面体，它是由sp3杂化轨道形成的。

So , this forms a tetrahedron , which forms the sp3 hybrid orbitals .

应用杂化轨道理论，可得到SP3杂化属四面体构型。

The application of the theory of hybridized orbital helps us to know that sp3 hybridization is the formation of tetrahedron .

本文根据最大重叠法原理，用BASIC语言编制了计算程序，在Apple&Ⅱ微机上运行，构造了H2O、CH3F的不等性杂化轨道。

We have compiled the BASIC program by the maximum overlap method for Apple & ⅱ microcomputer and inferred the method obtaining nonequivalent hybrid orbitals . It is similar to equivalent hybrid orbitals in many ways .

碳原子在形成金刚石时，原子间互相影响，使电子运动状态发生变化，形成sp3的杂化轨道，C-C形成共价键。

Carbon atoms would mutually interfered with each other when diamond is formed from them causing change of electron movement and forming SP3 hybridized orbit and C-C covalent bond .

如果我们考虑有六个氢原子，每个都会合起来，碳杂化轨道成键，每个氢的1s轨道。

And if we think about the six hydrogens , now each of those are going to bind by combining one of the carbon hybrid orbitals to a1 s orbital of hydrogen .

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。

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 .

ⅢA族二聚物分子构型的杂化轨道

Hybrid orbits of the Molecule Structure of Dimers in ⅲ A Family

钼原子间多重键的杂化轨道研究

Hybrid orbitals of Mo in Mo - Mo multiple bonds

有机分子中碳原子杂化轨道指数的简单计算

Simplified Calculation of Carbon Atom 's Hybridized Orbital Index in Organic Molecules

这样每个碳原子只剩下一个杂化轨道。

So that leaves each carbon with only one hybrid orbital left .

常见等性杂化轨道波函数的简易图解求解法

A Simple Graphical Solving Method for Hybridized Orbital Wave Function

单壁碳纳米管杂化轨道计算

Calculation of the hybridization orbital of single-wall carbon nanotubes

二维聚乙炔中的sp~2杂化轨道对电子跳跃能量的影响

Effect of sp 2 Hybrid Orbitals on Electronic Hopping in Two Dimensional Polyacetylene

等性扩展基杂化轨道的构造

A construction method of the extended basis hybrid orbital

介绍了杂化轨道间夹角公式。

In this paper , the nip angle formula between hybrid orbitals is introduced .

不等性杂化轨道的最大重叠求算法

The Maximum Overlap Method Obtaining Nonequivalent Hybrid Orbitals

第二层仅仅两个电子处于杂化轨道中。

Only two of the electrons in the second level reside in hybrid orbitals .

系列化合物C&H伸缩频率的自然杂化轨道研究

Natural Hybrid Orbital Study of the C-H Stretching Frequencies in Hydrocarbons and Heterosubstituted Hydrocarbons

杂化轨道波函数的确定方法

Determination of Wove Functions of Hybrid Orbital

杂化轨道理论的探讨

Studying of Theory of Hybrid Atomic Orbital