查询词典 molecular force

The biased Brownian movement model is one of the important ways to describe the molecular motor walking along the track. The deficiency of this model is that motor is not capable of producing a sufficiently strong force and the efficiency of motor is very low.

偏布朗运动模型是描述分子马达沿轨道运动的主要理论之一，此类模型的不足之处是不能产生足够强的力，其效率不高。

We used COMPASS force field in Molecular Mechanics and Molecular Dynamics simulation, and used Density Functional Theory method in Quantum Mechanics simulation.

分子力学和分子动力学部分主要采用COMPASS力场，量子力学部分主要采用密度泛函理论方法。

At the molecular level,the surface tension involves macroscopic conduction of the molecular interactive force.

由于表面张力和比表面自由能在应用过程中的界限有时不十分清楚，有些学者认为两者有重复的可能性，甚至有的学者主张只用比表面自由能，舍弃表面张力[1 ] 。

The general s = 9-15, t = 4-7. Such as the increase of molecular distance r, the force decreases sharply as short-range force.

一般s＝9—15，t＝4—7。这种随分子间距r的增大而急剧减小的力称为短程力。

The attraction force is different from three Van der Waals forces, it exists in any combination of polar molecular and nonpolar molecular.

这种吸引力不同于已知的三种范德华力，又存在于极性分子和非极性分子的各种组合中。

However, none of current molecular mechanical force fields can exactly treat the polarization effects in protein-protein and protein-ligand binding, even for polarizable force fields.

然而，目前还没有任何一种分子力学力场能够处理蛋白质和蛋白质或者蛋白质和配体之间的极化效应。

Etchant surface tension: because everything has a certain amount of surface area so liquid surface as if there is a layer of thin films, this film a molecular-level of attractiveness to shrinking trend, in order to maintain this balance, of surface tension in the gelifen surface must be enclosed in a suitable and surface force tangent to the surface area of, and this is no longer shrink and surface force called the tangent to the surface tension.

蚀刻液的暗地压辛：因为任何物体都有必定的暗地积因此不流体暗地不离仿佛有一层放宽的不厚膜，这层不厚膜具有一股分子级的边向推斥辛，使其有关上的趋向，为了保持这安详的暗地不均，在暗地周界上务必增一不合的和暗地相切辛才能使暗地保持必定的背积，不一再关上，这种和暗地相切的辛叫暗地压辛。

Molecular mechanics was introduced into the field of molecular recognition of chiral SalenZn for the first time. The minimal energy conformations of host-guest system were obtained with Tripos force field. The difference of the energy of L and D-amino acid esters system was mostly attributed to the difference of electrostatic energy.

首次将分子力学的方法引入手性Salen金属配合物的识别研究体系，用Tripos力场研究了主体Salen-Zn与氨基酸酯缔合后的体系最低能量构象，分析了L、D型两个体系能量差异的主要来源，即分子识别的主要根源是静电能的差异。

METHODS The structures of compound I, extracted from Clausena lansium Skeels, and synthesized compound III were determined by single crystal X-ray diffraction analysis. The stereo-structures of compound II and IV were also built up through Tripos force field based on crystal structures of compound I and III. RESULTS The molecular formula and molecular weight were found to be C18H17O2N and 279.34 respectively.

方法用单晶X-射线衍射分析法测定了从植物黄皮提取物中分离得到的化合物I和采用合成方法得到的化合物III的晶体结构，并用分子力学计算方法分别模建化合物II和IV的立体结构。

Therefore, when there are several methyls/methylenes in the system, and our focus isn't on the diffusion perpertie, the UA force field is our first choice.(4) UA force field was proposed for phosphonium-based IL, and molecular dynamics simulations were performed to depict the aggregation.

因此，如果一个研究体系含有较多的甲基及亚甲基基团，这些基团对体系的相互作用影响不大，而且体系的扩散性质不是研究的重点，则可以选取UA力场代替AA力场，在保证结果精确度的同时大幅度地节省计算资源。

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。