原子

The recent advances in the first principles calculations and atomistic simulations further help us in understanding atomic bonding, dislocation configuration and alloying effects in intermetallics which has led to the development of nickel, iron and titanium aluminide alloys with improved mechanical and metallurgical properties for structural use.

第一原理计算和原子结构模拟的新近研究结果能进一步帮助了解金属间化合物的原子结合键性质、位错组态和合金元素的作用。对基本问题的更好了解导致镍、铁和钛的铝化物金属间化合物合金的力学和冶金性能的改进，更接近了结构方面应用的要求。

Both primary and secondary amines were readily aminolysized, but secondary amine gave relatively low yield. It appeared that the aminolysis had good selectivity since the intermediate Ⅲwas more readily attacked by N-nucleophiles than by 0- nucleophiles.

实验发现，芳香胺和非芳香胺均可获得良好的反应结果，但芳香胺所需的反应时间较长；伯胺和仲胺都是良好的胺解试剂，但使用仲胺时产率较低；N原子亲核试剂比O原子亲核试剂具有更大的反应性。

By using a multiple scales method,we study the lattice vibration of a monoatomic chain taking into account the nearest neighbour and the second next nearest neighbour harmonic and anharmonic interactions.

利用多重尺度法，研究了谐振、非谐的近邻和次近邻相互作用下单原子链的晶格振动行为，发现非传播孤子在单原子链Brillouin区的任何位置均有可能存在。

Treating the anharmonic terms of potential energy as perturbations,and employing the formulas for atomic displacements and Hamiltonian in phonon occupation number representation ,the formulas for thermal expansion coefficients of crystal nano-wires are derived and the numerical calculations are carried out in this paper.

将原子间相互作用势的非谐项作为微扰，运用声子数表象中的晶格原子振动位移和晶格振动哈密顿公式，推导了纳米晶体线的热膨胀系数公式，并进行了数值计算。

The calculations indicate that Co should be inside of Ge〓, and bicapped tetragonal antiprism structure with D〓 symmetry is found to be the most stable structure of the cluster anion CoGe〓, which has the higher bonding energy and embedding energy.

激光双重烧蚀反应表明Co原子不在Ge〓团簇的外表面，量子化学计算表明，Co原子应在Ge〓团簇的内部，具有D〓对称性的双戴帽反四棱柱构型是幻数团簇离子CoGe〓势能面上的最低点，且具有较低的结合能和内包覆能。

The Mo center of [Mo8](superscript 4)-shows a slight distorted square antiprism coordination environment. The N atoms of cyano groups, acting as acceptors of hydrogen bonds, together with protonate N atoms from organocations and the lattice water, serving as donors of hydrogen bonds, form intricate hydrogen bond interactions, thus generating three-dimensional supramolecular network with the help of π-π interactions of some organocations.

Mo8(上标 4-)离子中，Mo中心处于扭曲的反四棱柱配位环境。8个未配位的氰基氮原子作为氢键的受体，有机阳离子上质子化的氮原子和结晶水作为氢键的给体，形成了丰富的氢键作用，这些氢键作用连同部分有机阳离子间的π-π堆积、阴阳离子间的静电力和Van Der Waals力构筑成三维超分子网络。

In order to provide some scientific data for judging biological toxicity and bioavailability caused by heavy metals in sediments in Guilin, China, for the first time, the authors sampled sediments in different water areas in Guilin, and determined AVS by P-Amino dimethyl aniline dihydro chloride photometry through a set of acidification-ventilation-absorption AVS reaction unit, determined copper, lead, zinc, cadmium and nickel with tomic absorption spectrophotometry, mercury and arsenium with atomic fluorescence, and cipangopaludina cathayensis was selected as the tested species for bioavailability experiment.

首次以桂林水系沉积物为研究对象，通过酸化－吹气－吸收装置，用对氨基二甲基苯胺光度法测定沉积物中AVS含量，用原子吸收分光光度法测定SEM和间隙水中Cu、Pb、Zn、Cd、Ni含量，用原子荧光法测定Hg、As含量。

Particles represent whole molecules or fluid regions, rather than single atoms, and atomistic details are not considered relevant to the processes addressed.

粒子代表整个分子或流体的区域，而不是单个原子的，并且原子的细节被认为与过程无关。

Much will be learned from atomistic simulation models to show how results could differ as boundary conditions and scales are changed.

从原子模拟模型中将了解到许多情况，原子模拟计算将揭示计算结果如何随着边界条件和尺度变化而不同。

The aim of this paper is to argue that we can extract from Plato's work a coherentaccount of the meaning of proper names that is both atomistic and holistic, because on that account, the meaning of a proper name has two components, one atomistic, the other holistic.

提要：本文的目的是论证我们可以从柏拉图的相关著作中解读到专名意义的一种融合一致的理论，这是一种既是原子主义的又是整体主义的理论。根据这种理论，专名意义由两个部分组成，一个部分是原子主义的而另一个部分是整体主义的。

However, as the name（read－only memory）implies, CD disks cannot be written onorchanged in any way.

然而，正如其名字所指出的那样，CD盘不能写，也不能用任何方式改变其内容。

Galvanizes steel pallet is mainly export which suits standard packing of European Union, the North America. galvanizes steel pallet is suitable to heavy rack. Pallet surface can design plate type, corrugated and the gap form, satisfies the different requirements.

镀锌钢托盘多用于出口，替代木托盘，免薰蒸，符合欧盟、北美各国对出口货物包装材料的法令要求；喷涂钢托盘适用于重载上货架之用，托盘表面根据需要制作成平板状、波纹状及间隔形式，满足不同的使用要求。