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- 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
- 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。
- 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。
- 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 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。
- Abstract: Electronic structure and optical properties of gibbsite under different external stresses were calculated using CASTEP program. 摘 要: 用CASTEP程序计算不同外压下氢氧化铝的电子结构与谱学性质，分析外压对体系能带结构、态密度及光学性质的影响。
- Aokemei improved the electronic structure of the modules, separating ventilating from heating, meanwhile improving the safety factor of the product. 奥柯美在技术上改善电气结构，使换气和取暖模块自由布置，自在使用，同时也增加了产品的安全系数。
- Syntheses of polysilane and its electronic structure, molecular structure, microstruc-ture and aggregation structure are reviewed. 综述介绍聚硅烷的合成方法及其电子结构、分子结构、微观结构和聚集态结构等。
- The electronic structure of CdSe, CdTe and SnSe are studied using the first-principle sca-(?) ar-relativistic LMTO-ASA method in the local-density approximation. 本文在局域密度近似下利用从第一原理出发的标量相对论(scalar-relativistic)自洽LMTO-ASA方法,计算了CdSe,CdTe和SnSe的能带结构。
