分子团

Constant-temperature molecular dynamics simulations combined with the quenching technique are used to study the melting behaviors of Nin and Pdn(n=13,55,147) clusters.The Gupta form interatomic potential is adopted in the simulation.

本文运用恒温分子动力学方法及淬火技术，模型采用Gupta作用势，研究了包含相同原子数目的Nin和Pdn (n=13，55，147)团簇的熔化特性。

Historically, metathesis reactions were limited to molecules without important functional groups.

在此之前，置换反应通常只局限于非重要功能团的分子之间。

And yet, looking at them, you would see a machine and a molecule.

而现在，盯著它们，你会看到一台机器和一团分子。

At the edge of a large molecular cloud in Monoceros, some 5,000 light years away, the petals of this rose are actually a stellar nursery whose lovely, symmetric shape is sculpted by the winds and radiation from its central cluster of hot young stars.

星云位于麒麟座巨大分子云的边缘，距离我们大约5，000光年远，而玫瑰的花瓣实际上就是一个恒星孕育场，而其可爱而对称的形状是由于中央年轻炽热恒星团发出的恒星风和放射线侵蚀而成。

Naphthol (1HN) clusters have been studied in supersonically cooled molecular beam by using UV laser ionization.

用飞行时间质谱仪和超声速脉冲分子束技术研究了紫外激光对1-萘酚(1HN)团簇的电离质谱。

The dissertation is devoted to the study of polarizability of niobium cluster and hyperpolarizability of organic molecular-C50Cl10 from first principle.

本论文的主要内容是通过第一原理来研究铌团簇的极化率和有机分子C_(50)Cl_(10)的高阶极化率。

WithinPMAO LB films,because the distance between the metal ions is no morethan 0.3nm,the carboxylate groups of a molecule form a nanoparticle(the size is less than 0.2nm)by the hydrogen bond or metal ion asthe bridges.

实验表明，在这种高羧基密度的聚合物中，由于羧基距离较近(＜0.3nm)，羧基通过氢键或金属离了为桥在分子内聚集成纳米团簇(＜2nm)。

In addition, the transition energy of methyl parathion is calculated, and the transition energy of the linear structure fluorophore is estimated by using the methods of quantum mechanics.

另外，计算出甲基对硫磷分子相应跃迁能级差，并运用量子力学理论对其中直线型结构的荧光团的电子跃迁能级差进行了估算。

This thesis has two parts: one is the photodissociation dynamics of median sizemolecules; the other is the ab inito study of hydrogen-bond cluster.

本论文分两部分：第一部分是中等分子的光解动力学的研究；第二部分是氢键团簇的理论计算。

Based on the flexibility and plasticity of receptors, scaffolds can be rationally transformed, which leads to "promiscuity".

相同的药效团附着在不同的分子骨架上，构成了作用于同一靶标而结构多样的化合物。

The split between the two groups can hardly be papered over.

这两个团体间的分歧难以掩饰。

This approach not only encourages a greater number of responses, but minimizes the likelihood of stale groupthink.

这种做法不仅鼓励了更多的反应，而且减少跟风的可能性。