查询词典 molecular force

Using the combination of energies of the molecular Force Field and atom-bond Electronegalitivity equalization method, the expression of alkane molecular energy has been proposed.

将分子力场中的能量项加入到原子－键电负性均衡方法的能量表达式中，获得了计算烷烃分子能量的方法。

Assumes that molecules are rigid ball, intermolecular End X are all elastic collision, in addition to the instant of collision, the molecular force can be ignored, then the chemical pure gas, K = 4nd2πkT = 4d2pπ, where: k for XmSkTSm Boltzmann constant, m is molecular weight, d the molecular diameter, n the molecular number density, p the gas pressure, T is thermodynamic temperature.

假定分子是刚性球，分子间完X全是弹性碰撞，除了碰撞瞬间外，分子力可以忽略，那么在化学纯的气体中，K＝4nd2πkT＝4d2pπ，式中：k为XmSkTSm玻耳兹曼常量，m为分子质量，d为分子直径，n为分子数密度，p为气体压强，T为热力学温度。

Molecular force is to decide an important factor in the fundamental nature of matter.

分子力是决定物质基本性质的重要因素。

Experiments show that the molecular force of attraction and repulsion of the vector.

实验表明，分子力为吸引力和排斥力的矢量和。

The availability and accuracy of molecular force fields limit their application scope.

分子力学力场的适用性和准确性是制约分子模拟应用的瓶颈。

Molecular still exist between the interaction, known as molecular force.

分子之间还存在相互作用，称为分子力。

The computational software in the fields of computational chemistry and materials science, and the molecular force fields which have been employed in polymer systems, were presented.

介绍了用于计算化学和材料科学领域的计算软件，以及可用于高分子体系的分子力场。

For example, by molecular beam experiment, two or three pairs of atoms or molecules to form the so-called van der Waals molecular studies reveal a lot about the nature of the molecular force.

例如通过分子束实验，对两三个原子或分子形成的所谓范德瓦尔斯分子的研究，揭示了许多有关分子力的性质。

When the molecular force field was used to treat solution systems, not considering the movement of electrons, in many force fields the chemical bonds between atoms must be confirmed to make sure that they can't be destroyed or formed in modeling procedure.

在用分子力场来处理溶液体系的时候由于没有考虑电子的运动，所以在很多力场中，原子间的化学键必须确定，以确保在模拟过程中化学键不会破坏或生成。

In this paper, the principle of molecular dynamics, and the category of molecular force field, and the establishment of AMBER、OPLS and CHARMM force field are introduced.

本文介绍了分子动力学(molecular dynamics， MD)的基本原理，分子力场的种类，以及离子液体分子动力学模拟一般采用的AMBER、OPLS和CHARMM三种力场的构建形式。

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。