查询词典 diatomic molecule

Studies show that the AM method and the new analytical expression are reliable and economical physical methods for studying full vibrational energy spectra and molecular dissociation energies of diatomic electronic systems theoretically, which are particularly useful for those diatomic systems whose high-lying vibrational energies may not be available.

结果表明，AM方法和新建立的离解能解析式相结合的理论方法对研究双原子分子及离子的完全振动能谱和离解能是行之有效的、简单经济的物理方法，为实验技术难以精确测量其高激发振动能级或离解能的双原子分子或离子体系提供了获得精确的完全振动能谱和体系离解能的一种理论新方法。

In this paper, we used molecule dynamics simulation technique in researching dielectric property. By analyzing the information that is provided from molecule dynamics simulation, we can got some dielectric properties like dielectric constant and chargeability. Firstly, 3D model of silicon dioxide was been built and geometric optimization was been used to make the model more correctly. Then the model was been put in calculation of molecule dynamics simulation with a definitive temperature.

本文针对氮化硼晶体在极端高温下的介电性能开展研究，首先建立六方氮化硼晶体的微观结构模型，通过几何优化对其进行进一步的结构修正，然后选择合适的力场、系综、积分时间步长和压力温度控制方法，对微观结构模型进行某一温度下的分子动力学计算，动力学计算达到平衡后得到该温度下电介质材料的微观结构模型和动力学特性。

With the soap member as the representative of amphiphilic molecule ,this paper analysizes amphiphilic molecule from the self-assembly process,gives micelle the formative critical density formula studies amphiphilic molecule LCD of the member formations and gets two conditional conclusions of density and temperature.

以肥皂分子为代表的两亲分子的团聚程度和浓度有关，当两亲分子浓度达到某一临界值时，就会形成胶束。

So, in chapter 2 we discussed the basic principle of AFM based single molecule force spectroscopy, including the immobilization method of the samples to be investigated, the experimental control of single molecule detection and the standard for the distinguishment of single molecule detection.

因此，在论文的第二章专门讨论了基于AFM的单分子力谱仪的工作原理。

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In order to know more about the microcosmic structure of the important biochemical model molecule formamide in aqueous solution, the Optimized Potentials for Liquid Simulations-All Atom model were used in the molecular dynamics simulation for the aqueous solution of FM in the whole concentration range. The radial distribution functions of the solutions were obtained. The interaction between water molecule and FM molecule was analyzed and calculated.

为了解重要的生化模型甲酰胺在水溶液中的微观结构，采用全原子力场在全浓度范围内对甲酰胺溶液进行了分子动力学模拟，得到了溶液的径向分布函数，分析计算了溶质和溶剂分子间的相互作用，对甲酰胺和水分子的氢键缔合情况进行了分析。

The removal pathways are: fist, high-energy electrons undergo an inelastic collision with target molecule, and transfers all or part of its kinetic energy to molecule. Inelastic collisions result in a charge to the target molecule such as ionization, dissociation or excitation.

其可能的途经是：首先，高能电子经过与目标分子发生非弹性碰撞，将能量全部或部分传递给分子，使其裂解，激化等；接着，上述被高能电子裂解、激化的分子在臭氧和氧等离子的作用下，被氧化成CO2、CO和H2O。

The discovery of [60]fullerene made us to learn of a completely new world ofcarbon: from plane molecule of low symmetry to ball shape molecule of highsymmetry, from simple molecule to supermolecule of fullerene clathrate and fromone-dimensional superconductivity to three-dimensional superconductivity.

的发现使我们了解到一个全新的碳的世界，从平面低对称分子到全对称的球形分子，从简单的分子到富勒烯笼内包原子的超分子，从一维超导到三维超导。

There are two independent molecules of ZnL or Co(IIL and two water molecules in one asymmetric unit of complex 1(or 2), the crystal structure of CuClL1·2H2O consists of one molecule of CuClL1 and two water solvate molecules in the asymmetric unit, while the ZnL·CH3OH (4) comprises of one molecule of ZnL and a methanol molecule in per unit.

在这四个金属配合物中，配合物(1)和配合物(2)的每个不对称单元中有两个独立的ML 分子和两个水分子，配合物(3)的每个不对称单元中有一个CuClL1分子和两个水分子，而配合物(4)的每个不对称单元中只有一个ZnL 分子和一个甲醇分子。

The strong extension and random curling of HA molecule result in tremendous domain, the hydrodynamics volume is ten times larger than the possessing space of its un-hydrated form. Further more, molecule chains twist between each other to form a consecutive reticular structure, which reacts with water molecule via polar bond and hydrogen bond.

HA分子在溶液中高度伸展和随机卷曲构型使其占有很大区域，其流体动力学体积较未水化时所占空间大l0倍，而且分子链之间相互缠绕形成连续的网状结构，水分子通过极性键和氢键与其直接作用。

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我们普遍有大祸降临的感觉。