原子

By introducing the concepts of atomic type and atomic attribute, MEDV was applicable to various molecular structures which contain the multiple bonds and heteroatom.

通过引入原子属性和原子类型的概念构建的MEDV，适用于描述含多个杂原子、饱和键与不饱和键、环和非环等分子结构特征。

The single spots imply that carbon atom of the in-plane of 奊ICs is put in the order of the hexagonal net of graphite. Compared with the size of carbon atom, the triple spots of chloride signify that there are three sizes of the molecule of cupric chloride.

EGICs层面内碳原子层原子排布保持了石墨六角网格状的特点；氯化铜分子相对碳原子层分布有三种堆垛方式。

Additionally, there was new AES that may be a transition form of hybridism of carbon atom. It is concluded that carbon atom of graphite changes from sp^2 π to sp^3 through "metal catalyst layer", and deposits on the surface of diamond.

结果表明高温高压条件下石墨中碳原子经过"金属催化剂层"才能将碳原子的电子构形从SP^2π态改变成SP^3态，碳原子从而以金刚石四面体结构沉积到金刚石表面，金刚石晶格结构的形成是在金刚石表面层完成的。

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。

Unlike Democritus, whose atoms behaved as Newton would someday imagine, with perfect determinism, Epicurus's atoms moved partly by pure chance; a random swerve in their path brought indeterminism and chance into the universe by making the atoms change their course.

德谟克利特的原子学说，跟后来牛顿所臆想的差不多；而作为决定论的改良版，伊壁鸠鲁观点不同，他认为原子的运动有一部分是纯属偶然；原子群运行路径随着某一随机性会变化方向，进而使得整个宇宙都变得不可预测并充满变数。

The close coupling calculation of rotationally inelastic collision of He with Na_ 2 is first performed by employing a recently computed ab initio potential energy surface.

在已经拟合好的He-Na2体系势能面上，根据原子-双原子分子的非反应性碰撞动力学的相关基本理论，在空间固定坐标系下，采用严格的密耦方法求解了He原子和Na2分子的转动非弹性碰撞动力学方程。

The atomic average binding energy and balance interatomic distance of iron clusters (for austenite,ferrite and martensite) were calculated by the interatomic pair potential.

并尝试用原子间相互作用对势研究铁团簇（奥氏体、铁素体和马氏体）的原子平均结合能和最近平衡原子间距。

Valence characterized by the transfer of electrons from atoms of one element to atoms of another during the formation of an ionic bond between the atoms.

电价在原子间形成离子键的过程中，由电子从一种元素的原子转移到另一种元素的原子所表示的价

Electro valence :Valence characterized by the transfer of electrons from atoms of one element to atoms of another during the formation of an ionic bond between the atoms.

电价：在原子间形成离子键的过程中，由电子从一种元素的原子转移到另一种元素的原子所表示的价。

The result also indicated that variation in atomic neighbour distance with concentration is about 40 percent and 20 percent, respectively, for ionic bond and covelent bond solid solutions, compared with that expected by the near neighbour vegard's law, while in the metallic bond solid solutions, this exceeds 50 percent, even reaches 80 percent 〓 so.

用虚晶格近似模型来描述固溶体中的原子近邻结构是不恰当的，然而原子近邻距的加权平均却与VCA值一致，这说明固溶体晶胞参数随成分的变化规律是由原子近邻距随成分的变化规律所决定的。

On the other hand, the more important thing is because the urban housing is a kind of heterogeneity products.

另一方面，更重要的是由于城市住房是一种异质性产品。

Climate histogram is the fall that collects place measure calm value, cent serves as cross axle for a few equal interval, the area that the frequency that the value appears according to place is accumulated and becomes will be determined inside each interval, discharge the graph that rise with post, also be called histogram.

气候直方图是将所收集的降水量测定值，分为几个相等的区间作为横轴，并将各区间内所测定值依所出现的次数累积而成的面积，用柱子排起来的图形，也叫做柱状图。