分子

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。

Experimental result makes clear, the main reason that structure of revulsive bursa bubble alters exterior activator is exterior activator embeds in the double element layer of bursa bubble, the inhomogenous sex that the exterior charge intensity that changed bursa bubble thereby and the exterior activator after embedding distributing in layer of bursa bubble double element.

实验结果表明，表面活性剂诱导囊泡结构改变的主要原因是表面活性剂嵌入到囊泡的双分子层中，从而改变了囊泡的表面电荷强度以及嵌入后的表面活性剂在囊泡双分子层中分布的不均匀性。

The results show that non-sequential double ionization rate and the double ionization events that sum of two-electron momentum equals zero increase with the molecular internuclear distance increasing when the molecular internuclear distance is within 1.0a.u.

结果表明，分子核间距在1.0a.u。-6.0a.u。范围内时，非时序双电离率和两电子动量和为零的双电离事件数随着分子核间距的增大而增大。

But this molecular model shows how some proteins form loops in DNA when they chemically attach, or bind, at separate sites to the double-helical molecule that carries life's genetic blueprint.

就像槲寄生包绕在柔软的甘蔗蔓藤上，分子模型展示了某些蛋白在DNA 如何形成环状，当它们用化学键贴或者绑在携带生命遗传蓝图的双螺旋DNA分子。

"If this molecule is as important as it appears to be, you can see the possible implications," said Dr. Todd C. Sacktor, a 52-year-old neuroscientist who leads the team at the SUNY Downstate Medical Center, in Brooklyn, which demonstrated its effect on memory.

在布鲁克林，52岁的神经学专家萨克特博士带领团队在美国纽约州立大学下州医学中心对分子如何影响记忆开展研究，他说：如果这种分子就如看起来那么重要，那你能预见它将带来的影响了！

Moreover, aptazymes as catalytic molecular beacon provide a new orientation for the quantitative analysis of effector molecules.

适体酶作为催化分子信标，为效应分子的定量分析提供了新的思路。

In this thesis, based on the quantum chemistry calculation, applied elastic scattering Green's function method, different gold-molecule-gold systems are investigated.

本文在量子化学计算的基础上，利用弹性散射格林函数的理论方法，对由金属-分子-金属构成的分子体系进行了计算。

The two molecules get closer, the electron cloud overlap, so that two molecules repel each other.

两个分子靠得更近时，电子云互相重叠，使两个分子互相排斥。

The electron cloud of the highest occupied molecular orbit and the lowest unoccupied molecular orbit were calculated by Gaussian 03 software.

利用高斯03软件计算了此材料分子的最高分子占据轨道和最低空轨道上的电子分布情况。

On creating model of cultured hippocampal neurons injured by amyloid, we studied the mechanisms of close interrelation between amyloid and Alzheimer"s disease at cell and molecular level with advanced test methods. For example, the technique of optical lens and electron microscope , immunohistochemical method,biochemistry.molecular biology and HPLC, so as to deeply probe into the mechanisms that Decotion of Rehamanniae prelects and treats Alzheimer"s disease.

本课题通过建立β淀粉蛋白损伤离体培养的海马神经元模型，运用光、电镜技术及免疫组化、生物化学、高效液相及分子生物学等先进的检测手段和方法，从细胞及分子水平进一步探索了Aβ与老年性痴呆发生、发展密切相关的综合机制，从而全面深入地探讨了地黄饮子防治AD的作用机理。

According to the clear water experiment, aeration performance of the new equipment is good with high total oxygen transfer coefficient and oxygen utilization ratio.

曝气设备的动力效率在叶轮转速为120rpm～150rpm时取得最大值，此时氧利用率和充氧能力也具有较高值。

The environmental stability of that world - including its crushing pressures and icy darkness - means that some of its most famous inhabitants have survived for eons as evolutionary throwbacks, their bodies undergoing little change.

稳定的海底环境─包括能把人压扁的压力和冰冷的黑暗─意谓海底某些最知名的栖居生物已以演化返祖的样态活了万世，形体几无变化。