查询词典 atom structure

The thesis designs the OFET based anthacene from materials characteristic, technics flow, device structure and materials selecting. It researches the technics and characteristic of anthacene film by scan electronic microscope、atom force microscope、X ray diffraction、photomicroscope, et al.

从材料特性，工艺流程设计、器件结构设计、材料选取等方面，设计制备了基于并三苯的有机场效应晶体管，采用扫描电子显微镜、原子力显微镜、X射线衍射分析仪、光学显微照相等手段研究了并三苯材料应用于OFET中各种成膜工艺及特性。

In order to illustrate this point, the atomic charge for the oxygen atom in water (HF/STO-3G structure) has been calculated

为了解释这一点，用Mulliken和CHELPG方案在几个不同的理论水平上对水分子（HF/STO-3G结构）中的氧原子的原子电荷进行了计算。

Purine: Any of a class of heterocyclic compounds with a two-ring structure composed of carbon and nitrogen atom s.

嘌呤：嘌呤是对由碳、氮原子组成的双环结构的杂环化合物的统称。

In chapter 3, the angular distributions of SpE decay rate of a two-level atom placed in the multi-layered structure is investigated.

论文的第三章主要研究了由一维多层结构构成的微腔中二能级原子自发衰减的角分布。

The stimulated emission from a two-level atom embedded in a photonic band-gap structure is studied.

受激辐射机制的研究是光子晶体激光器设计中的一个基本问题。

Using extensie MS, U, and NMR spectral analyses, the structure has been established as compound 1, aureoerticillactam, a 22-atom macrocyclic lactam incorporating both triene and tetraene conjugated olefins.

运用包括质谱、紫外及核磁共振的多种光谱分析，解析确定了该化合物1的结构，是一个含有共轭三烯和共轭四烯的22元环大环内酰胺。

Using extensive MS, UV, and NMR spectral analyses, the structure has been established as compound 1, aureoverticillactam, a 22-atom macrocyclic lactam incorporating both triene and tetraene conjugated olefins.

运用包括质谱、紫外及核磁共振的多种光谱分析，解析确定了该化合物1的结构，是一个含有共轭三烯和共轭四烯的22元环大环内酰胺。

Using the one-atom theory, the electronic structures of Pt-electrocatalyst with fcc structure was determined as follows:(5dn)6.48 (5dc)2.02 (6sc)1.48(6sf)0.02. Compared to the result obtained by the first-principle method such as FP-LMTO, CASTEP, their results are in good agreement with each other. Comparing the calculations of physical properties such as lattice constants, cohesive energy and bulk modulus by OA method and first-principle method, the result obtained by OA method is in excellent agreement with experimental value, but the result obtained by first-principle method is not accordable. The relationship between the electronic structures and catalytic performance was explained qualitatively by OA method and first principle method according to its electronic structures. Because the d-orbital vacancies increases and static density is high around Fermi energy band, Pt has good catalytic performance.

摘 要：依据纯金属单原子理论确定面心立方结构电催化剂Pt的电子结构为(5dn)6.48(5dc)2.02-(6sc)1.48(6sf)0.02，与采用第一原理的FP-LMTO和CASTEP等方法所计算的电子结构相比较，其结果非常相近；由OA理论和第一原理方法计算的晶格常数、结合能、体弹性模量等物理参数进行比较，OA理论计算的结果与实验值较符合，而第一原理方法计算的结果与实验值相差较大；在此基础上用OA理论和第一原理方法研究了Pt的电子结构与催化性能的关系，由于d带空穴增多和费米能级附近态密度较高，导致金属Pt的催化性能很好。

In this model the carbon atom amount, which exist in austenitic crystal lattice, decided the structure size.

在这一模型中决定&有序簇聚结构&尺寸的一个重要因素是奥氏体晶格点阵中实际固溶的碳原子数量。

Computationalresults indicate that the no-planar trans-benzanilide is the most stable structure. The spectra indicate that the Franck Condon region photodissociation dynamics have multidimensional character withnine activemodes. The intensity of υ24 mode in methanol is much stronger than that in acetonitrile. Compared with fatty amides and benzamide, phenyl substitution for H atom on-NH2 group makes C=O solvent effects disappear.

结果表明，苯甲酰苯胺的非平面反式结构为最稳定结构；在Frank-Condon区域内，苯甲酰苯胺主要由9个活性振动模组成；其中ν24（苯环上C＝C不对称伸缩振动和CCH的面内弯曲振动，NH面内弯曲振动）振动模在甲醇溶剂中的强度远远大于其在乙腈的强度；与脂肪酰胺类化合物和苯甲酰胺的研究结果比较发现，苯基取代－NH2上的H原子使得C＝O不再具有明显的溶剂效应。

I am accused of being overreligious," she said in her quiet, frank manner,"but that does not prevent me thinking the children very cruel who obstinately commit such suicide.""

客人们在卡罗利娜·埃凯家里，举止就文雅一些，因为卡罗利娜的母亲治家很严厉。

Designed by French fashion house Herm è s, this elegant uniform was manufactured in our home, Hong Kong, and was the first without a hat.

由著名品牌 Herm è s 设计，这件高贵的制服是香港本土制造，是我们第一套不配帽子的制服。