查询词典 molecule

With and without the assistance of one water, ammonia, and methanol molecule, the proton-transfer tautomerisms of 2-hydroxylpyridine are investigated systematically employing the B3LYP/6-311++G** level of theory. Both the keto and hydroxyl form of 2-hydroxylpyridine can exist stably though the keto form is slightly more stable than that of hydroxyl form.

采用量子化学中的密度泛函理论，在B3LYP/6-311++G**计算水平上，系统考察了在水、氨和甲醇分子辅助下，2-羟基吡啶醇式和酮式结构的质子转移异构化行为。

Monosaccharides are classified according to (1) the number of carbon atoms present in the molecule and (2) whether they contain an aldehyde or keto group, thus a monosaccharide containing six carbon atoms is called hexose; a monosaccharide containing an aldehyde group is called aldose; and one containing a keto is called a ketose.

单糖的分类按照（1）分子中碳原子的数目（2）是否含有一个醛基或酮基，因此一个单糖含有6个碳原子叫做己糖；一个单糖含有醛基叫醛糖；含有酮基叫酮糖。

On the basis of the chemical topological theory, Kier's molecule shape index (superscript mK of 25 chlorinated hydroxyl-phenylaldehydes were calculated in this paper.

基于化学拓扑理论，计算了25种氯代羟基苯甲醛衍生物的分子形状指数

In order to study on the QSRR of fatty esters, 100 fatty esters were optimized by semiempirical calculations AM1, then calculated them by quantum chemistry algorithnl and the technique of molecule graphics and AM1 to acquire the Kier index and Kappa shape index.

为了研究脂肪酯的构效关系，应用半经验量子化学AM1法得到了100种脂肪酯分子的优势构象，利用量子化学算法和分子图形学技术获得Kier指数和Kappa形状指数，再在分子拓扑理论的基础上，提出了一个修正的拓扑染色指数mL，用多元回归技术建立了脂肪酯化合物的结构与色谱保留值的相关性模型。

With the concept of activation energy and the kinetic theory of gases, based on that the molecule must go through the process of the collision in order to react.

以活化能概念和气体分子运动论为基础，认为分子必须经过碰撞的过程才能发生反应。

The idea that molecule s of a fluid are constantly in motion is a key part of the kinetic theory of gases, developed by James Clerk Maxwell, Ludwig Boltzmann, and Rudolf Clausius (1822-1888) to explain heat phenomena.

这个观念是马克士威、波兹曼和克劳修斯(Rudolf Clausius，1822～1888)在阐明热现象时所提出的气体分子运动论的主要概念。

KIR molecule belong to immuneglobulin superfamilly,express to the surface of the NK cell and part effector T cells.

KIR分子属于免疫球蛋白样超家族，表达于NK和部分效应T细胞表面。

This paper simulates the structure of fractal molecule chain with the form of Koch curve.

本文模拟了具有Koch曲线形式的分形链式结构。

A single molecule of glucose in an anaerobic environment is converted to two ATP molecules and two lactate molecules.

一个分子的葡萄糖在厌氧环境中转换为两个三磷酸腺苷分子和两名乳酸分子。

Organic conjugated molecule ; anthrone derivative ; lactoflavin ; chlorophyll a ; non-radiative resonance energy transfer ; luminescence

有机共轭分子；蒽酮衍生物；核黄素；叶绿素a ；非辐射共振能量转移；发光

As of Tuesday, Google's results were still censored in China.

截至周二，谷歌的搜索结果仍受中国审查。

In order to make the positive action increase and negative one decrease, the sub-forces of the social factors must be adjusted to form a centripetal force.

在这一过程中，人的主体性发挥是社会有机体健康发展的灵魂。