• First, increasing demands for processing speed and functional density have pushed IC fabricators to shrink further the minimum dimensions of MOS devices.

    首先增加处理速度功能密度需求推动IC制造者进一步缩减MOS装置最小尺寸

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  • The CDG is a small group of UK academics working in the field of density functional theory and electronic structure calculations.

    CDG密度地里工作英国学者一个小组功能理论电子结构计算

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  • The anastomotic technique affects functional capillary density through microembolization and moreover influences the tissue survival.

    吻合技术通过微栓子改变功能毛细血管密度影响组织存活

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  • CASTEP is a software package which USES density functional theory to provide a good atomic-level description of all manner of materials and molecules.

    CASTEP使用密度一个软件包裹提供对各种各样的材料分子原子水平的描述功能理论

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  • Being a novel functional material, the ferroelectric cathode materials were studied well with the leaded materials for their high electron emission density.

    阴极材料作为一种新型功能材料发射电流密度等优点而受到重视。

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  • The density profile of hard sphere fluid confined in two parallel hard walls was studied by using Rosenfeld density Functional Theory (DFT) and Molecular Dynamics (MD) simulation method.

    利用密度泛函理论分子动力学方法,对处于平行墙之间流体的密度分布进行计算。

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  • Future mini-aircrafts, such as Micro air Vehicle (MAV) and Nano-satellite, requires RF front-end modules with functional complexity, high density and low power consumption.

    随着微型无人机、微纳卫星的出现,迫切需要功能更强、集成度更高、功耗的微型集成射频模块

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  • The cyclopropanation reaction of ethylene with samarium (II) carbenoid was studied by means of the B3LYP hybrid density functional method.

    密度泛函B3LYP方法研究过渡金属钐类卡乙烯环丙烷化反应机理。

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  • This kind of molecular material has strong nonlinear optical properties, and its electronic structures and dipole moments are calculated by use of density functional theory on ab initio level.

    分子材料具有较强非线性光学性质分子的电子结构电偶极是在密度泛函理论水平利用从头计算方法得到的。

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  • Based on the density functional theory, the first principles calculation was performed to investigate the bulk, surface copper and the diffusion in the copper thin film.

    本文应用基于密度泛函理论第一性原理赝势法,较系统研究体相和表面相,以及锂离子铜薄膜中的扩散行为。

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  • The binding energy, energy band structure and optical properties of the oxygen physical adsorption on semiconducting single-wall carbon nanotube are studied by the density functional theory.

    密度泛函理论计算氧分子物理吸附半导体单壁纳米管的束缚能带结构吸收光谱。

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  • Fitting orthogonal polynomial method for characterizing the functional relationship between the dry density and moisture content of earth-fill in standard compaction test is presented.

    提出了描述标准击实试验中土料密度含水量之间函数关系拟合正交多项式方法

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  • The structural stabilities and electronic structures of W atomic chains are studied by employing first-principles plane wave pseudopotential method based on the density functional theory.

    使用基于密度泛函理论第一原理平面波赝势研究W原子结构稳定性电子结构性质。

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  • The reaction of HNO with o radical was investigated by density functional theory (DFT) and ab initio methods.

    密度泛函理论(DFT)从头算方法,HNOO自由基反应进行了研究

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  • The sequence effect on ordering mechanism of linear ABC triblock copolymers has been investigated by using dynamic density functional theory.

    动态密度泛函理论研究序列线型ABC三嵌段高分子微相分离动力学机理影响

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  • First-principles methods based upon density functional theory are performed for diluted magnetic semiconductor.

    本文用密度泛函理论方法系统地研究了稀半导体材料

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  • Recent progress in density functional theory (DFT) and its numerical methods is briefly reviewed.

    综述密度泛函理论及其数值方法的最新进展

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  • The reaction mechanism between atomic oxygen radical anion and benzene has been investigated using the density functional theory (DFT).

    采用密度泛函理论研究了负离子自由基分子反应

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  • Ab initio molecular orbital and density functional theory (DFT) in conjunction with different basis sets calculations were performed to study the N-H... o blue-shifted hydrogen bond in the HNO dimer.

    利用分子轨道从头理论密度泛函理论结合不同理论对于N - H…O蓝移氢键进行详细研究

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  • Furthermore, using the distribution of energy-density of solitary waves, some functional properties of biological membranes are explained.

    此外利用孤立能量密度分布解释了生物某些功能特性

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  • The relativistic density functional computational methods applicable to the calculation of systems containing heavy elements with high accuracy are simply reviewed.

    适用重元素体系高精度相对论密度泛函计算方法作简要的评述。

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  • This paper has inspected the effect of the relative theory on the function of the bond of idoine through functional calculating of the relative density of several simple compounds containing idoine.

    本文通过几个简单复合物相对论密度泛函计算考察了相对论效应对碘作用的影响。

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  • Spectroscopic properties of selected systems have been investigated by time dependent density functional theory (TD-DFT).

    体系光谱计算采用时间依赖密度函方法(TD-DFT)。

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  • Based on density functional theory (DFT) and B3LYP method, we made a theoretical study of the reaction system involving organic transitional metal compound. We studied the mechanism of each reaction.

    本文采用密度理论B3LYP方法有机过渡金属化合物参与化学反应体系进行理论研究

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  • Density functional theory (DFT) of quantum chemistry was briefly introduced.

    简要介绍了量子化学中的密度理论

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  • Basing on the density-functional theory, the paper presents a method of calculating the isolated impurity levels in doped semiconductors.

    提出一种计算掺杂半导体孤立杂质能级方法方法建立密度函数理论基础之上

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  • The effect of the molecule structure, molecule weight, functional group density of the prepolymers and diluent monomers on hardness, flexibility of cured products has been investigated.

    研究齐聚稀释单体分子结构分子量大小、反应性官能团密度固化硬度柔韧性影响规律。

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  • Similar to ganglioma, non-functional adenoma was large and slightly low in density.

    无机性腺神经节瘤相似表现为肿块较大密度

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  • The researchers then used density functional theory to design molecules in which these conditions would be satisfied.

    之后科研人员使用密度泛函理论设计分子满足这些条件

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  • Based on density functional perturbation theory (DFPT) and combined with the norm-conserving pseudopotential method, the lattice dynamic simulation is presented.

    基于密度泛函微理论(DFPT)结合模守恒方法进行晶格动力学模拟

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