水分子

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。

The disorder of the thienyl ring and〓 groups in 11, 12 and the disorder of water in the packing of 14 may be responsible for their triboluminescent activities.Ⅲ. A dinuclear triboluminescent complex,〓(15)(where TTA=2- thenoyltrifluoroacetone, PyO=N-oxide pyridine), was synthesised and its crystal structure and triboluminescence spectrum were determined.

X-射线结构分析表明，四个配合物中的铕原子均呈现出八配位的四方反锥几何构型。11、12及13均为有对称中心结构配合物，11、12中的噻吩环及〓的无序以及配合物14晶胞中水分子的无序可能对它们的摩擦发光活性起了很重要的作用。

Water normally moves a thousand times faster -- on the scale of a trillionth of a second.

水分子正常移动速度要快一千倍，即一万亿分之一秒。

A new type of chemical analysis has spotted the telltale signs of water molecules inside tiny beads of volcanic glass brought to Earth decades ago by the Apollo astronauts.

他们利用一种新的化学分析法，在小块火山玻璃珠里发现了水分子的明确迹象。玻璃珠是由"阿波罗"号宇航员于几十年前带回地球的。

Stability: It causes reactivity of vulcanization with water molecule in air, and release methanol gas.

稳定性：遇空气中的水分子，产生硬化反应，并释放出甲醇气体。

According to the results of differential thermal analysis and thermogravimetry of a zein film, its glass transition temPerature is 171℃ and the decomposition temperature is 262℃.

醇溶玉米蛋白膜的差热分析结果表明其玻璃化转变温度为171℃，热分解温度为262℃。根据热重分析，温度为81℃时，失重率为2.3％，主要是乙醇及水分子的蒸发。262～355℃为产品急剧分解阶段，与差热分析结果相吻合。

The water molecule floats off, leaving behind an adatom.

漂浮的水分子后，留下一个原子。

All transition states in the assisted aminolysis are 35—70 kJ/mol lower than those for the non-assisted reaction.

研究结果还表明：水分子的参与有利于N-甲基b-磺内酰胺的氨解反应，它能够大大的降低反应能垒，降低值约为35—70 kJ/mol。

The coordination mode of La can be described as a distorted aquare antiprism, which was completed by two oxygen atoms from one oxalate, four oxygen atoms from four different PDC ligands, and two oxygen atoms from two water molecules.

La呈现四方反棱柱体的配位模式，分别和2个来自同一个草酸配体的氧原子、4个来自4个PDC配体的氧原子以及2个来自2个配位水分子的氧原子配位。

The neighbor-ing two Gd3+ ions are connected by two simple bridged carboxyl groups and a μ2-bridging carboxylgroup. Each G-d3+ ion is simuetaneosly coordinated by two water molecules. So the coordination num-ber of Gd3+ is nine, forming a coordination polyhedron of distorted mono capped square antiprism.

相邻Gd3+离子通过2个简单羧基桥和1个μ2羧基桥联结起来，还有2个水分子配位于每个Gd3+离子，所以Gd3+的配位数为9，形成变形的单帽四方反棱柱体。

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。