查询词典 atom model

We have proposed an atom-bond electronegativity equalization model on the basis of density functional theory and electronegativity equalization principle.

因此，发展准确的、计算上易于实行的方法用于探讨大分子的性质是现在理论化学的重要任务。

We have built and developed an atom-bond electronegativity equalization model on the basis of density functional theory and electronegativity equalization principle.

我们以密度泛函理论和电负性均衡原理为基础，建立和发展了原子-键电负性均衡模型。

We have built and developed an atom-bond electron-egativity equalization σπ model on the basis of density functional theory and electronegativity equalization principle.

我们以密度泛函理论和电负性均衡原理为基础，建立和发展了原子-键电负性均衡方法中的σπ模型。

The effects of the fine structure of the ground state levels on the spontaneous emission spectrum of an atom are studied in the first model.

在第一个模型中，研究了原子的基态能级的精细结构对自发辐射谱的影响。

Replant dissociate vein to remedy the electrical burn scar on the upper limbs, epiploon axis type skin valve, atom skin replant, etc, these research achievements has made great contribution to the medical career of the world..as a emphases section office, they freely remedy the scar and rebuild the function for the soldiers who was wounded in official business and the labor model every year, which show their noble sentiment and excellent professional skills.

同时，疤痕整形诊疗中心也是上海九院整形科著名的临床科研和专业医师培训基地。发表论文300余篇，专著10余部。6项原创性成果享誉国内"阻隔式皮瓣"和"微粒皮移植"连获4项国家三等发明奖，2项博士美容整形医院科技成果奖。获得全军三等功两项，两次被评为全国卫生系统先进集体，2000年被授予"全国五一劳动奖"，这一系列成果是上海武警医院疤痕整形科集体对疤痕医学事业所作的主要贡献。

Based on this model the band gap of SnO_2,ESCA of Sn atom and ch...

指出SnO_2化学传感作用本质上是电荷迁移效应。

The structures and stabilities of the ground-states for Cu13-nAgn clusters have been studied by Gupta model potential based on tight binding second moment approximation in combination with a genetic algorithm. It is found that the lowest energy structures of the pure clusters (n=0,13) are perfect icosahedron, and the structures for the bimetallic clusters (n=1～10) have stable structure which are slightly deformed with respect to the perfect icosahedron, The Cu atom prefers to occupy the center of the clusters with higher coordination numbers.

在混合团簇基态结构优化的遗传算法方案中增加了交换算子，结合Gupta紧束缚模型势研究了Cu13-nAgn团簇的最低能量结构，选择合适的交换和杂交概率，可有效地提高优化效率，优化结果表明，Cu13和Ag13是全对称的二十面体，n=1～10的混合团簇能形成稳定结构，其构型是在二十面体基础上发生畸变，Cu原子趋于处在团簇中心，随着Ag原子数目的增加，原子间的平均距离单调增加，团簇的结合能单调减小，Cu2Ag12和CuAg12只存在亚稳结构。

The deformed metal-SWNTs and metal-TCNTs can be transformed to semiconductor or insulator due to deformations resulting to variation of the atomic structure and the nearest-atom transfer integral having relation with the directions.Based on the Boltzmann transport equation and n - electronic energy dispersion relations for individual SWNTs, the theoretical model caculating the current and conductance of the SWNTs is deduced. The low-temperature conductances of undoping or doping SWNTs are studied numerically, the calculated results show that, for the doping SWNTs, the conductance is quantized, i.e.

我们从Boltzmann方程出发，并结合SWNTs的能量色散关系，导出了计算手性SWNTs电导或电流的理论模型，并分别对非掺杂和掺杂SWNTs的低温电导或电流进行数值计算，结果表明：对于非掺杂的SWNTs，其电导是量子化的，即电导随偏压或电子输运能量变化呈跃变的台阶式结构，这些结构随管径增大或温度升高变得不明显；对于掺杂SWNTs，当偏压为某些特定值V_i时，传导电流有跃变，且传导电流的大小、跃变周期及跃变幅度等不是完全由掺杂后的电子浓度决定的，而与管半径R及掺杂后Fermi能级附近的电子态密度有直接关系，随着温度的升高和管径的增大，跃变结构趋于平滑。

According to two_level model of atom, we systematically analyze the quantum reflection and transmission of the vector atomic matter wave with internal structures propagating through a laser beam.

特别是对"粒子隧穿一个势垒是否需要时间"或者"量子隧穿时间是多长"这一问题[14]的讨论在量子力学基本问题研究中一直占有相当重要的地位。

Following the analysis, a new calculation model is developed, which takes the effect of the induced dipole moment of one atom on the polarizability into consideration, and the mathematical expressions are deduced in the cases of macro electric field parallel and perpendicular to the molecular axis, and at a random angle with the axis.

该模型考虑了分子内原子偶极矩对电子位移极化的影响，推导了宏观电场与分子轴平行、垂直、呈任意夹角等典型情况下的非对称双原子分子的电子位移极化率的数学模型。

The statistical analysis of this large set of mutations has led us to propose a diagnostic strategy that should help with the molecular work-up of optic neuropathies.

这一大系列基因突变的统计学分析引导我们提出一个诊断策略，可以帮助我们对视神经病变进行分子学的诊断检查。

The results show that the pipe grouting changes the mechanical parameters of surrounding rocks to achieve the security of engineering objectives by reinforcing surrounding rocks and bolcking the water.

研究表明：小导管注浆一方面改变了围岩的力学参数，另一方面利用浆液的固结特性可以实现堵水和加固围岩的工程目标，使隧道在开挖过程中的安全得到保障。