电子杂化

一般认为，Co／Pt多层膜的垂直磁各向异性主要源于界面处沿膜面法向的平移对称性中断队及Co与Pt的d电子杂化。

For Co / Pt multilayers , the perpendicular magnetic anisotropy is mainly re-sulted from the reduced symmetry and the hybridization between Co and Pt d orbits at interface .

导热型硅橡胶电子灌封杂化材料研究

Research on silicone rubber hybrid materials with heat conductive performance used for electronic encapsulation

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 .

再次，通过改变与吡喃酮环相连的亚甲基碳原子的电子云杂化状态，设计了化合物类型2.11。

Moreover , parent compound 2.11 was designed by changing hybridization of carbon which attached with the pyranone D-ring at 7-position .

我们认为，O2-离子与磁性阳离子间的电子轨道杂化是产生钴铁氧体晶核的诱因。

We consider that the predisposing cause of the crystal nucleus growth of Co-ferrite was the hybridization of electron orbits between O2 - ion and magnetic positive ion . 4 .

通过自然键轨道法分析发现，烃类化合物的碳氢键解离能与母体的碳氢键杂化轨道成分p%，自由基奇电子轨道杂化成分p%及自由基的自旋密度三个参数之间存在较好的定量关系。

The NBO analysis revealed that the C-H BDEs of hydrocarbons were dependent on the hybridization of the parent compound , the hybridization of the radical , and the spin density of the radical . A good quantitative relationship among BDEs and the three parameters was found .

轨道分析还表明：Cu的3d和4s电子通过dsp杂化参与π~反馈而导致NO的活化，同时Cu的σ价电子与NO的5σ电子排斥作用的减小是吸附能增加的主要原因。

In addition , the 3d and 4s electron of Cu contribute to the NO decomposition activity by dsp hybrid orbital , and the decrease of the repulsion between σ electron of Cu and 5 σ electron of NO was the primary reason to the increase of adsorption energy .

本文从八隅规则、16&18电子规则及杂化分子轨道内在联系简单地介绍了等叶片相似模型。

This paper briefly introduces the isolobal analogy model from 8 electron rule 、 16-18 electron rule and molecular hybrid orbitals theory .

主要从有机化合物的结构出发，分析和判断了电子效应、杂化方式及空间效应等因素对有机分子酸碱性的影响。

From structure of organic compounds , this paper analyses and discusses impact of acids basing activity of organic molecules about electronic effect , hybrid method and steric effect .

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

同时也发现由于加压使得系统的f能级与费密能级的相对移动和f电子与导带电子杂化的增加对S波超导有利，而对P波超导不利。

Furthermore , we find the effect of f energy levels displacement relative to Fermi energy level and s-f hybridization increase due to applying pressure are of benefit to S-wave superconductors , but not of benefit to P-wave superconductor .

富勒烯的最低未占据态之能级以及富勒烯π态与碳纳米管内近自由电子态之间的杂化形成了碳纳米豆荚内多重载流子的电子特性。

The deep energy position of the lowest unoccupied state of fullerenes as well as hybridization between π states of the fullerenes and the nearly free-electron states of the nanotubes causes a multicarrier character in the peapods .

电子态密度分析揭示出C原子的π电子和Ru的d电子存在杂化现象，这导致了电荷从金属转移向碳管。

The analysis of electronic density of states revealed hybridization between the n electrons from C and the d electrons from Ru , which results in charge transfer from metal to carbon .

其次，利用第一性原理计算得到非磁性金属Cu掺杂ZnO的电子结构，发现其具有稳定的铁磁基态，其磁性来源于Cu-3d电子和O-2p电子之间强烈的杂化作用。

It is found that the ferromagnetic ground state is stabilized by its half-metal band structure . The originate of ferromagnetism is from the strong hybridization between Cu-3d and O-2p electrons .