查询词典 molecules

Orion KL hot molecular core is known to be rich in organic molecules; the brightness ( 105L ) and proximity ( 450 pc) of Orion KL make it a primary target for molecular line search and astrochemistry study.

猎户座KL热分子云核是个已知富含有机分子的天体，它的亮度(~ 105 Lsun)以及相对於太阳如此近的距离(~ 450 pc)非常适合我们来寻找在太空中尚未被指认出来的重要分子以及做天文化学上的研究。

In order to determine the fractal dimension of the interface, structures with different rotation radii are set in the transition region. By using above regulation, the number of surface molecules of each rotation structure with certain radius can be obtained, then correlate these molecule numbers with the corresponding radii, in a logarithmic coordinate system the asymptotic slope of the correlated curve is the fractal dimension of the liquid-vapor interface.

为了确定界面的分形维数，在气液过渡区中作出不同回转半径的结构，利用（2～5）/1.2r〓规则找出其中所包含的气液界面上的分子数，然后将这些分子数与回转半径关联，在双对数坐标中此关联曲线的渐近斜率便是气液界面的分形维数。

The valence electron structure of Fe_2B phase was studied on the basis of Yu's empirical electron theory of solids and molecules.The values of valence electrons on every bond in an atomic coordinate cluster were calculated by the method of bond length difference.

根据固体与分子经验电子理论对Fe_2B相的价电子结构进行了定量分析，通过键距差方法计算了Fe_2B晶体配位团各键上的共价电子数。

The theoretical system for describing the structures of organic and drug molecules using 3 types of molecular electronegativity-distance is created based on various atomic types and atomic attributes. These MEDVs include MEDV-4 based on 4 atomic types and relative electronegativity and relative bond length to carbon atom, and molecular holographic distance vector based on 13 atomic types and relative bond length to carbon atom, and MEDV-13 based on 13 atomic types and atomic attributes and the modified electrotopological state index.

通过不同原子类型与原子属性划分方案，创建了3种形式的分子电性距离矢量即以4种原子类型划分方案和以碳原子为标准的相对电负性与相对键长为基础的分子电性距离矢量MEDV-4、以13种原子类型划分方案和相对键长为基础的全息分子距离矢量MHDV、以13种原子类型与43种原子属性划分方案以及修饰的电拓扑状态指数和拓扑距离为基础的分子电性距离矢量MEDV-13等3种矢量描述子表征分子结构的理论体系。

The largest corrected intermolecular interaction of the mixture is 24.51kJ/mol. Atomic net charges and nature bond orbit are analysed. The charge transfer between two molecules is great. The weak hydrogen bonds are formed in H…O and F…H.

原子静电荷和自然键轨道分析表明，高聚物粘结剂与硅烷偶联剂之间存在较强的电荷转移，分子间存在H…O和F…H等弱氢键作用。

Unfortunately, it has been shownthat these methods are not suitable to study about chemical bonds due to not involvingchemical bonds. In order to consider chemical bonds obviously, we have proposed an atom-bondelectronegativity equalization model on the basis of density-functionaltheory and electronegativity equalization principle. The main contents of our atom-bond electronegativity equalization model contain:(1)Considering the fact that there are varies of chemical bonds in molecules andpartitioning the molecular electron density as summations of atomic electron densitiesand chemical bond's electron densities, we obtained the basic equations of atom-bondelectronegativity equalization model: the expression of the total energy 〓, theexpression of the atom electronegativity 〓 and the expression of the bondelectronegativity 〓.

为了明确地考虑和处理分子中存在的化学键，以便能够更好地描述体系中的电荷分布进而准确地描述分子体系中的有关物理化学性质，尤其是与化学键有关的物理化学性质，我们在密度泛函理论和电负性均衡原理基础上提出了原子-键电负性均衡模型，原子-键电负性均衡模型的主要内容是：(1)考虑到分子体系中存在各种化学键这个事实，将分子空间看成是由原子区和化学键区组成的，将分子的单电子密度表达成为分子中各组成原子的单电子密度和各化学键的单电子密度的加和，从而得到了原子-键电负性均衡模型的基本方程：分子体系总能量〓和分子中原子电负性〓和化学键电负性〓表达式。

The frontier orbital energies and total atomic charges of the optimized and active Huperzine A molecules showed that the electron transfer should have happened from the active site of enzyme to Huperzine A in the complex, the changes of the energies, atomic charges, bond lengths and the Mullicken Bonding Population revealed the strong interaction between Huperzine A and enzyme.

石杉碱甲分子的能量以及键长、键级的变化都表明酶和底物之间有较强烈的结合作用。

With quantum chemical calculation, all the information about electronic and spatial structures of specific compounds can be obtained, including molecular orbital energy level, atomic charge density, polarizability, and electrostatic charge of molecules.

通过对化合物进行量子化学计算，可以获得有关分子的电子结构和立体结构信息，如分子轨道能级、原子的电荷密度、极化率以及分子的静电荷等。

In fact,the gravitational mass of the atomic nucleus or the atoms ,the molecules or the macroscopic objects, and the celestial bodies,all of which contain the electromagnetic mass.

物质每从一个低层次构成为高一个层次时，它就要放出结合能，它的静止质量总比构成它的低层次物质的总静止质量要少。

We all know the theory that matter is made up of atoms and molecules.

我们大家都知道物质是由原子和分子构成的这一理论。

For every one of my New Year resolutions, I have been a backslider for years.

说到我的新年决心，我每年都做

With empathy and focus on a feeling level, we can all relate to the common ground of mutuality of emotions.

有了同情心和感觉上一级的重点，我们都可以涉及到相互的情感共同点。