极化

The first hyperpolarizability and molecular frontier orbit properties of barbituric acid derivatives are studied at HF/6-31G level by coupled perturbed Hartree-Fock method.

采用耦合微扰方法在HF/6-31G水平上对巴比妥酸衍生物的第一超极化率和分子前线轨道性质进行了计算。

The proton exchange of the polarized benzoquinone radical in solution c ontained sulfuric acid was studied.

研究了含硫酸溶液中极化的苯醌自由基与溶液中的质子发生的交换现象。

Photochemical reactions of benzodioxoles with benzoquinone was investigated by photo-CIDNP technique.

光照的1H化学诱导动态核极化技术用于研究胡椒基类化合物与苯醌的光化反应。

The reaction mechanism and the dynamic were investigated Some results were obtained as the following:1. Investigation on the photo-induced reaction mechanism of porphyrin/benzoquinonePoiphyrin/benzoquinone/CK3OD and benzoquinone/CDsOD were studied by CIDNP and ESR technique.

本文采用化学诱导动态核极化和电子自旋共振等方法，针对光合作用模型体系的光激发电子转移和基态相互作用以及跨膜电子传递反应动力学等问题，从反应机理及动力学等角度进行了探索性研究。

Test of electrochemical methods Benzylidene acetone, formaldehyde, compound additive D, ammonium metavanadate solution of acid sulfate tin polarization curves, test ammonium metavanadate on the open circuit potential acid sulfate solution of tin.

用电化学工作站测试分析苄叉丙酮、甲醛、复合添加剂D、偏钒酸铵对酸性硫酸盐镀锡溶液的极化曲线的影响，测试偏钒酸铵对酸性硫酸盐镀锡溶液开路电位的影响。

Kinds of Schiff base derivatives of 2-N-benzylidene Furanmethanamine have been designed. The Net Charges of main atoms, bond lengths, bond angles, dihedral angles, IR have been calculated by means of HyperChem6. 0 program. 36 kinds of Schiff base derivatives of benzylidene adenine have been designed. Also the net charges of main atoms, bond lengths, bond angles, dihedral angles, IR, the energy gap △E between HOMO and LUMO and the nonlinear second-order polarizability β have been calculated by means of HyperChem6. 0 program. The calculated results indicated that the nonlinear second-order polarizability β were up in accordance with the △E down.

设计了腺嘌呤缩苯甲醛36种衍生物，计算了这些分子的气相几何，腺嘌呤缩苯甲醛中各原子的电荷分布，最高占有轨道HOMO和最低未占有轨道LUMO的能量以及它们之间的能量差△E，同时还计算了这些分子的二阶非线性极化率β，我们发现腺嘌呤缩苯甲醛的二阶非线性光学系数与△E有近似一致的变化关系，随着△E的减小，二阶非线性光学系数有增大的趋势。

The first hyperpolarizabilities of binaphthyl bridged chiral bis-porphyrins depend on the spatial arrangement of the substituents.

一阶超极化率的大小与双卟啉中推／拉电子基团的空间排列方式有关。

For Mn5 cluster, the most stable structure is trigonal bipyramid with spin magnetism of 3 μ, and Mn6 cluster has the most stable structure of ferromagnetic octahedron with spin magnetic moment of 16μ.

Mn6的最稳定构型为铁磁性的畸变八面体（磁矩为16，C(下标 4v)）。各种异构体虽然多重度不同，但每个原子的自旋极化度均在3以上。

Electroless copper ; thermodynamics ; dynamics ; cathodal polarization curve ; the experiment of rotary-disk

化学镀铜；热力学；动力学；阴极极化曲线；圆盘旋转实验

Polarization measurements showed that HBPT can inhibit the anodic reactions of the copper in 0.5mol/L H2SO4 and accelerate the cathodal reactions and act as a kind of anodic inhibitor.

极化曲线研究表明3，5-二（2-吡啶基）－1，2，4-三唑在0.5mol/L硫酸溶液中对铜的阳极反应起抑制作用，对铜的阴极反应起促进作用，属於阳极型缓蚀剂。

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％。