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the title compound was synthesized and its structure was studied in theory.the schiff base compound was synthesized by condensation of paeonol with furylfurylamine,then it was deoxidized by sodium borohydried.the energies,bound lengths,bound angles,the net charges of main atom and contributive percents of frontier orbital in the title compound have been calculated by software hyperchem 7.0 in half experience method.the yield rate of title compound was 65.6%.the result of calculation showed that the most of the bond lengths and angles in the system were in the the normal range,negative charge mainly concentrate on o1,o2,o3 and n1.the title compound behaves as quadridentate ligand.

目的合成标题化合物并对其结构进行了理论研究。方法以丹皮酚和糠胺为原料合成席夫碱，经硼氢化钠还原得标题化合物；使用hyperchem7.0程序，用半经验方法计算了化合物分子中能量分布、主要键长、键角以及主要原子的净电荷分布和前言轨道分布。结果标题化合物，收率65.6%；计算结果分析表明，分子中主要原子之间的键长、键角基本在正常的范围内；负电荷主要集中于o1，o2，o3和n1上。

The distribution of carbon atom in Fe-Ni-C austenite can be described quantitively with Monte Carlo method.

定量描述了Fe-Ni-C合金中碳原子的分布状态。

The energy of the complex molecule has been compensated by a hydrogen bond formed by, a proton bonding to a quinolyl nitrogen atom and a nitrate ion.

分子中有一个氢离子与另一个喹啉N原子结合并与硝酸根的氧原子形成氢键，从而使配合物分子在能量上得到补偿。

A half-sandwich complex (N1) with pendant quinolyl group was successfully synthesized. The 〓HNMR spectrum indicated that the nitrogen atom was coordinated to the titanium center in this complex in solvent.

成功地合成了一个侧链含喹啉基的半夹心茂钛络合物，〓HNMR显示此络合物上的N原子与钛金属中心配位。

Randell Mills is the pioneer of technology based on energy released as the electrons of hydrogen atoms are induced by a catalyst to transition to lower-energy levels (ie drop to lower base orbits around each atom's nucleus) corresponding to fractional quantum numbers.

米尔斯博士兰德尔是基于技术的先驱，作为电子的氢原子释放的能量是由催化剂作用过渡到低能量水平（即降至大约每个原子的原子核基准较低轨道）相应的分数量子数。

Hot atom relection.

热原子反应机理。

The semiconductor nanocrystalline surface is modified by using organic overlay method. As an organic overlay,-methacrylic restrains the reuniter between the grains in the latter process. Furthermore, it can combine with empty bond of atom at grain surface state and eliminate the surface state.

应用有机包覆的方法对纳米颗粒进行了表面修饰，作为包覆剂的α-甲基丙烯酸有效抑制了后处理工艺中纳米颗粒间的团聚现象，在纳米颗粒表面形成帽层，并与粒子表面态的原子悬键进行配位，这对消除表面态是非常有益的。

Moreover, the thermal conductivity of La-filled compound is decreased significantly because of phonons scattering induced by the "rattling" of La atom in the voids of skutterudite structure.

由于稀土La原子在结构空隙中的&振颤&运动强烈散射了声子，使得填充稀土La的化合物热导率获得了更大程度的降低。

For example, polarizability can be approximated by the introduction of induced dipoles; it can also be represented by Drude particles , or massless, charge-carrying virtual sites attached by a springlike harmonic potential to each polarizable atom.

例如极化可引入偶极以近似，它也能由 Drude 粒子或者无质量表现，实质上的极化原子电荷点位赋予弹簧似的谐势能。

The order-disorder transitions of stoichiometrical AB and A3B alloys werestudied by using effective-atom model based on EAM potential.The results give the analytic function form of the free energy in term of the long rangeorder parameter,and indicate that order-disorder transition behaviors of stoichiometri-cal AB and A3B alloys may be different. This method can be applied to interpret theexperimental results of order-disorder transition in stoichiometrical NiAl and Ni3Al.

利用EAM势基础上的等效原子模型分析了结构稳定性与长程有序度的关系，给出了二元体系结合能与长程有序度解析关系的一般表达式，说明当量成分下AB和A3B型合金有序无序转变行为的不同，并以NiAl和Ni3Al为研究对象具体研究了其有序无序转变，从理论上解释了这两种有序金属间化合物在实验中所表现出的不同有序无序转变行为特征。

Breath, muscle contraction of the buttocks; arch body, as far as possible to hold his head, right leg straight towards the ceiling (peg-leg knee in order to avoid muscle tension).

呼气，收缩臀部肌肉；拱起身体，尽量抬起头来，右腿伸直朝向天花板（膝微屈，以避免肌肉紧张）。

The cost of moving grain food products was unchanged from May, but year over year are up 8%.

粮食产品的运输费用与5月份相比没有变化，但却比去年同期高8％。