查询词典 molecules

At the normal state, porphyrin molecules do not have EPR signal. However, light excitation may cause a transition of porphyrin molecules from singlet to triplet. At the same time, the change from diamagnetism to paramagnetism occurred to porphyrin molecules. In this case, the two un-paired electrons are nearby each other and cause a strong interaction, giving EPR signal with sharp peak at g =2.000. The g value increased with an increase in electron cloud density.

常态下卟啉分子没有EPR信号，在光的激发下，卟啉分子由原来的逆磁性分子变成顺磁性的激发三重态分子，这种激发三重态分子在分子轨道上具有两个未成对电子，这两个电子相距很近，彼此之间发生很强的相互作用而产生电子，它的 g 值随卟啉共轭体系平均电子云密度增大而变大。

The process of dip pen lithography involves the adsorption of ink molecules on AFM tip ,the formation of water meniscus ,the transport of ink molecules ,and diffusion of ink molecules on the substrate .More factors such as temperature ,humidity ,tip ,scanning speed and so on will influence the process of dip pen lithography .

蘸水笔技术的刻蚀过程包括AFM 针尖对墨水分子的吸附、针尖与基底间弯月液桥的形成、墨水分子在液桥中的传输、墨水分子在基底的扩散等四个阶段，并受温度、湿度、针尖、扫描速度等多种因素的影响。

Since most of the large molecules containing phosphorus element have double bonds, it is necessary to consider the special structures of double bonds in order to deal with these large systems more accurately. So, based on density functional theory and electronegativity equalization principle, applying a general atom-bond electronegativity equalization method , using separated program, through regression and least-squares optimization , the parameters of atoms and bonds in molecules are determined . By these parameters , the charge distributions and the energy of some molecules containing phosphorus element, especial the fragment of DNA, RNA, are calculated . The results are quite good.

由于这些含磷生物大分子体系都含有双键，为了明确的处理双键，进而更准确的解释带有双键和共轭双键的含磷生物大分子结构与性质的关系，我们以密度泛函理论~([1-4])和电负性均衡原理~([5-9])为基础，应用和开发原子-键电负性均衡方法中的σπ模型，利用最小二乘法，拟合确定了一些分子（含碳、氮、氧、氢以及磷等原子）的各种类型原子及化学键区域的参数，并利用上述参数计算了一些多聚核苷酸的电荷分布以及分子的总能量，进行了讨论，得到的结果可以和从头算相媲美。

In this thesis, we focus on the theory for the interaction of molecular dipole moment with external electric field and use the numerical simulation to investigate the rotational state-selection of polar molecules in a hexapole electric field and the laser-field role of alignment or orientation for molecules based on semi-classical treatment, the detail is the numerical calculation for a quantum mechanical treatment of molecules and their interaction with the external field and a classical electrodynamical treatment for static electric field.

本文研究是在描述分子偶极矩（永久偶极矩或诱导偶极矩）和外电场相互作用的基础上，我们建立了对分子态选择和角动量取向、准直研究的半经典理论框架（即分子体系状态、能量及与外场相互作用使用量子理论描述，分子的运动轨迹使用经典电动力学描述），并利用数值计算方法对静电场和随时间变化电场作用下分子的转动态选择、取向和准直过程进行了研究。

The results show that the ECM potential behaves well in whole internuclear region, and that the ECM not only gives satisfied potentials for smaller diatomic molecules but also generates correct potential energies for heavier molecules like halogen diatomic molecules.

研究表明，ECM势不仅有优秀的物理性质，而且在分子振动全程具有较高的精度；ECM不仅能给出小分子电子态的满意势能结果，而且对于其电子构造和物理及化学性质都有一定特殊性的卤素双原子分子，也同样能给出正确的势能曲线。

Polyatomic molecules Compared with diatomic and triatomic molecules and large clusters, the interaction of polyatomic molecules with intense femtosecond laser field need to be paid more attention.

多原子分子相对于简单的小分子和团簇分子而言，多原子分子与强激光的相互作用还缺少深入的研究。

The "best" way to solvate a system is to place explicit water molecules in the simulation box with the molecules of interest and treat the water molecules as interacting particles like those in the molecule.

为体系添加溶剂的最好的途径是在模拟盒子中添加明确的水分子。

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。

Therefore, it can be concluded that 1 60kD and 40kD molecules may co ordinates with each other in the solubilization of vitelline envelope and the inner jelly layer, and each plays a different role in the different time of hatching process; 2 the digestion or autodigestion of 60kD molecules into 40kD molecules is probably a natural behavior, not just resulted from manipulations.

由此可见，60kD分子降解或自身降解为40kD分子很可能是一种自然行为，而并非由于实验操作所致。

High magnetic filter: Use KLQ unique high magnetic field E + E, complexification of magnet technology, so that has been activated small molecules of water with stronger activity, more time to maintain the water activity that was called not reducing property small molecules of water , constant magnetic field of 10,000 gauss systems, instantaneous release of 9600-10300 gauss of magnetic field lines, so that an orderly arrangement of small molecules of water take of various trace elements needed by human body,delay cell senescence, activation of T cell growth, modulation of human blood fat, improve body microcirculation, reducing blood vessel wall fat deposition, improve immunity, have a preventive of hyperlipidemia and other kinds of chronic diseases, diabetes, high blood pressure.

高磁化过滤器：使用KLQ独特的E+E高磁场，复化磁钢技术，使已经活化的小分子团水活性更强，具有磁记忆能，更长时间维持水的活性被称为不还原的小分子团水，10000高斯生物恒磁场系统，瞬间释放9600-10300高斯的磁力线，使小分子团有序排列摄取人体所需的各种微量元素，延缓细胞衰老，激活T细胞生长，调节人体血脂，改善身体微循环，减少血管壁脂肪沉积，提高免疫能力，可保健肝胃具有预防高血脂高血压糖尿病等种慢性疾病。

Liapunov—Schmidt method is one of the most important method in the bifurcation theory.

Liapunov—Schmidt方法是分叉理论的最重要方法之一。

Be courteous -- even when people are most discourteous to you .

要有礼貌──即使当別人对你最不礼貌的时候。