双分子的

Since the High-Lying Vibrational excited levels and dissociate behavior of gas diatomic molecules: H2, O2, N2 and CO are very important in actual studies and applications, using the algebra method and the algebra energy method to obtained full vibrational energy spectra {E} and molecular dissociation energies are base on limited experiment energy level {E} in this paper. The study result has provided the important high vibrational excited state energy level and the reliable dissociation energy data for the research partial dissociating gas physics and the chemical property.

鉴于气体双原子分子H2、O2、N2和CO的高振动激发态能级和离解行为在实际研究中的重要性，本文应用代数方法和代数能量方法，以部分气体双原子分子有限的实验能级［E］为基础，获得了H2-X1Σ、O2-A^3Σ、O2-c1Σ、N2-X1Σ和CO-X^1Σ共5个电子态的完全振动能谱｛E｝及其分子的离解能，为研究部分离解气体的物理和化学性质提供了重要的高振动激发态能级和可幸的离解能数据。

Latest advances in studies on mechanisms for hydroisomerizaton of n-alkane over bifunctional catalysts supported on zeolites,including monomolecular and bimolecular reaction mechanisms, pore mouth mechanism and key-lock mechanisms,were reviewed.

综述了近年来正构烷烃在分子筛为载体的双功能催化剂上加氢异构化反应机理的研究进展，介绍了单分子机理、双分子机理、孔口机理及锁匙机理，并展望了反应机理在制备新型催化剂领域的应用前景。

The conventional calculation models of electron displacement polarizability are summarized and their limitations are revealed.

分析了经典的电子位移极化率的计算模型，指出了这些经典模型在计算非对称双原子分子模型时存在局限性，提出了一种针对非对称双原子分子的电子位移极化率的计算模型。

The experimental results from cyclic voltammetry and constant-potential electrolysis show that the mechanism of the reaction was two molecules and three steps electrochemical process with eight-electrons transferred: anion radical arose in the first step; two-electrons were transferred in the second step and accompanied with coupling reaction of radicals and protonation and dehydrate, the main product was azoxybenzene; two-electrons were transferred in the third step, and azobenzene was achieved.

研究结果表明，硝基苯在铂电极上的电还原反应为双分子八电子三步骤电化学过程：第一步反应为准可逆单电子转移步骤，产生阴离子自由基；第二步为二电子转移步骤，并伴有随后的双分子不可逆自由基偶合反应和快速质子化及脱水反应，主要产物为氧化偶氮苯；第三步是二电子转移产生偶氮苯的过程。

The Xray diffraction analysis of the compounds (3) and (4) shows the presence of an intramolecular coordination of oxygen to the tin atom giving rise to a fivemembered ring in which the metal exhibits a distorted trigonal bipyramidal geometry.

并通过X-射线衍射测定了（3）和（4）的晶体结构，其空间群均为P2〓/c，晶胞内分子数Z=4，分子结构是以锡原子为中心金属原子、含分子内O→Sn配位键五员环的扭曲三角双锥结构，碳碳双键的两个氢是顺式构型。

The amphiphiles, 4-8, can not form reverse bilayers in organic solvent, which result in that the molecular interactions unable to meet the need for hydrophile-lypophile balance, so that they crystallize and exhibit no gelling abilities. The mono-chained L-alanine derivatives, 1-3, can self-assemble into bilayer aggregates, through intermolecular hydrogen bonding and homochiral effect in a number of organic liquids, which are juxtaposed and interlocked by van der Waals interaction, and finally gelate the organic liquids.

单链酰基化L-丙胺酸两亲物1-3在一些低极性的有机溶剂可以通过分子间氢键相互作用及同手性聚集作用形成有序的反双分子膜结构，这些有序反双分子膜结构单元依靠vander Waals力相互作用可以平行排列且相互之间进行连结形成长纤维状的聚集体，纤维状聚集体在有机介质中可以进一步相互连结形成三维网状结构，进而胶凝有机溶剂。

The study of diatomic molecular potential energy function is the basic problem because diatomic potentials depend on only a single variable, the interatomic distance.

由于双原子分子的势能仅是原子核间距的函数，因此双原子分子势能函数是势能函数研究的基础问题。

A new method for ab initio energy partition is being developed in order to gain new insight into the nature of electron delocalization, and it is able to provide any molecule with a fragment MO basis set in which the π and σ systems have been separated out no matter whether molecule is planar or nonplanar as well as whether the π system is conjugated or cumulated.

我们的方法可以为任何一个共轭分子(无论是平面的还是非平面的，是含共轭双键的还是含累积双键的)，提供一个π与σ体系彻底分离的片断分子轨道基组。这个轨道基组不仅满足分子特殊的对称性，而且还具有确切的电子占据数。

In order to study the aldol condensation of 2.15-hexadecanedione on the surface of aluminium, the intermolecular condensation mechanism of acetone occurring on aluminum was simulated by using semi-empirical AM1 method embodied in MOPAC 6.0 program package. The optimized structures and geometry parameters of 5 transition complexes and 4 intermediates were given.First, 2 molecules of acetone coordinated with aluminum by electrostatic attraction.One atom of hydrogen of acetone migrated to aluminum because of t...

为了研究2，15－十六烷二酮在氧化铝表面的环合机理，选择小分子丙酮为模型化合物，用量子化学半经验AM1方法研究双分子丙酮在氧化铝表面的醛醇缩合机理，给出了反应过程中的5个过渡态和4个中间体的结构和几何参数，该催化反应可以认为是氧化铝分子与两分子丙酮分子发生静电络合作用，然后借助氧原子的负电荷导致脱氢并实现缩合，根据中间体的能量变化，推测有较稳定的铝复合物生成。

A number of v=0~57 vibration levels were determined and assigned. The levels cover more than 99% of the potential well depth of the state. No evident autoionization was found related to the levels belonging to the 13 g- state above the ionization threshold, implying the distinct character of the doubly excited valence state from the Rydberg states.

并发现13 g-态能级即使超过电离限时亦无明显的自电离倾向，反映了双电子激发态不同于里德堡态的独特性质。13 g-态是碱金属双原子分子电离限以下唯一的3 g-对称性的态和电离限下唯一较纯的双电子激发态，这些结果为分子结构和量子化学的定量研究提供了重要的信息；（2）通过检测Na 3d 3p原子荧光，观察到Na2分子的33 g和43 g+态在3s+3d解离限以上的预解离能级及其转动线宽加宽等。

The labia have now been sutured together almost completely.The drains and the Foley catheter come out at the top.

此刻阴唇已经几乎完全的缝在一起了，排除多余淤血体液的管子和Foley导管从顶端冒出来。

To get the business done, I suggest we split the difference in price.

为了做成这笔生意，我建议我们在价格上大家各让一半。