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valeny electron structure 价电子结构
Its electronic structure is discussed by using EHMO method. 而且还用EHMO方法研究了配合物的电子结构。
German-born Canadian physicist. He won a1971 Nobel Prize for chemistry for his contributions to the understanding of the electronic structure and geometry of molecules. 赫尔茨伯格，格哈得生于1904德裔加拿大物理学家。他因理解分子的电子构造与几何形状而做出的贡献而获1971年诺贝尔化学奖
Auger effects available: 1)Auger surface effect 2) Auger peak width and chemical effect 3) Auger recom-bination effect 4) Auger electron structure effect and Auger surface state effect. 俄歇效应,提出可采用的俄歇效应有:(1)俄歇表面效应,(2)俄歇峰宽和化学效应,(3)俄歇复合,(4)俄歇电子结构效应和俄歇表面态效应。
Auger Electron Spectrscopy (AES) has widespread use in determining the chemical and electronic structure of solid surface(40A). 俄歇电子谱仪广泛地利用来确定固体表面的化学和电子结构(40 A)。
The in-plane and out-of-plane lattice constant of Ni/GaAs(100) was determined X-ray diffraction. And the magnetic properties and electron structure of bcc Ni have been studied with MOKE, FMR, SQUID, and Angle Resolved Photoemission. 利用同步辐射x射线掠角衍射，同步辐射光电子谱，磁光Kerr效应，铁磁共振，超导量子干涉器件等对bcc Ni/GaAs(001) 上的晶格常数，磁矩，面内各向异性，垂直膜面方向上的能带结构进行了研究，并和fcc Ni进行了对比。
Electronic structure and bonding model of TATB are studied by density function and discrete varia-tional (DFT-DVM) method. 用离散变分密度泛函方法(DFT-DVM)研究了TATB分子的电子结构和成键图像。
Calculation of electronic structure, magnetic structure and physical properties for new materials. 新材料电子结构,磁结构和物理性质的计算。
The electronic structure of the nitro derivatives of benzenes and amino-benzenes have been calculated by CNDO/2 and HMO methods in quantum chemistry. 运用量子化学中CNDO/2和HMO方法,计算了苯和苯胺硝基衍生物炸药的电子结构。
The CDG is a small group of UK academics working in the field of density functional theory and electronic structure calculations. CDG是在密度的地里工作的英国学者的一个小组功能的理论和电子结构计算。
Electronic structure for ordered Bal-xK3BiO3 alloys has been calculated with a supercell LMTO method. 用线性丸盒轨道原子球近似(LMTO-ASA)超元胞法计算(Ba_(1-x)Kx)BiO_3立方超导相x=0.;25与x=0
The results shows that the change of Titanium atomic location can influence the electronic structure of BTO greatly. Ti的位置变化导致晶格畸变,使电子结构发生变化;
The electronic structure of Pd-Y-Si glass has been investigated by ESCA andquantum chemical calculation. 用光电子能谱及量子化学计算研究了Pd-Y-Si非晶态合金的电子结构。
The electronic structure of a quaternary alloy has been investigated using EHT band calculation method. 用紧束缚能带计算方法(EHT)研究了标题多元合金的能带及电子结构。
Theoretical calculation on electronic structure of the conductive molecule viologen dithiols[J]. 引用该论文张笑一;汤建庭;王一波;梁雪;卫钢.
The paper is trying to analyse oscillograph of the using methord and the principle of its electronic structure. 本文就示波器的结构原理和使用方法做详细的探讨,以期抛砖引玉,努力提高学生在实验中的动手能力。
PEEM probes photoelectrons in a high-contrast imaging technique that is sensitive to the surface electronic structure. 光电子显微是一种高衬度的成像技术,对材料表面电子结构高度敏感。
The transmitter was pulsed by an electron tube. 电子管使发射器产生脉冲波。
Theoretical investigations were performed to explore the electronic structure and optical properties of fluorescein using ZINDO, ab initio and DFT methods. 摘要用ZINDO、从头算和密度泛函理论方法研究荧光素及其衍生物的电子结构和光谱性质。
The electronic structure of the bcc Fe (001)edge dislocation core is investigated using the first principles discrete variational method(DVM). 本文用密度泛函理论框架下的离散变分方法 (DVM)研究了bccFe[10 0 ](0 0 1)刃型位错体系的电子结构 ,给出了结合能、原子间相互作用能以及电荷转移信息。