English translation for "分子力学"

force field
molecular mechanics

Related Translations:

分子力:  force, molecularintermolecular forceintermolecularforcemolecuar forcemolecular force

分子力场:  field of force of moleculemolecular force field

Example Sentences:

	1.	Esra is a 100 % pure java library for the interactive analysis of molecular mechanics data . mangles your data in your favorite scripting language 将有关分子力学的资料整理做成一个互动式的分析工具。
	2.	Moreover , the stereo structures of diaminodibenzo crown ethers were studied by means of " h - nmr , 13c - nmr and molecular mechanics theory . dialdehyde compounds were also synthesized and characterized 通过~ 1h - nmr 、 ~ ( 13 ) c - nmr和分子力学计算法研究了二氨基二苯并冠醚异构体的空间立体结构。
	3.	Fourthly , the mathematics model of single - wall carbon nanotube ( swcnt ) is built . molecular mechanics calculation is used to minimize the energy of initial model of swcnt . the relationship of strain energy and structure of swcnt is studied 进而，建立了碳纳米管的空间模型和物理模型，采用分子力学方法对初始模型进行了能量最优化计算，并探讨了应变能与碳纳米管的结构的关系。
	4.	The formula of bending stiffness of single - walled carbon nantubes ( swcn ) has been derived via molecular mechanics based on analysing the special structure of swnt , and the value calculated from this formula is in excellent agreement with effective bending stiffness 摘要通过对单壁碳纳米管的独特结构的仔细分析，运用分子力学方法，得到了单壁碳纳米管抗弯刚度的计算公式，其结果与目前公认的单壁碳纳米管的有效抗弯刚度吻合得很好。
	5.	The purpose of studying the structure - activity relationship ( sar ) of vitamin e is to study the difference of the molecular geometry , which has different effect on the reaction activity of the molecule and produce different biological activity . semi - empirical ami and pm3 method and ab initio 3 - 21g methods are applied to optimize the four different geometries of tocopherol in the present work . using the two methods we have obtained some parameters about the biological activity 计算步骤是，先使用hyperchem6构造出各种化合物，用hyperchem自带的分子力学mm +和polak - ribiere优化方法在目标分子的构象空间中寻找能量相对较低的构象，然后用am1半经验方法进一步优化其构型，得到一系列能量值，然后利用hyperchem6 . 0其中集成的qsar模块，计算化合物的qsar参数，其中包括：疏水性参数( logp ) 、分子表面积、总体积、折射率、极化率等参数。
	6.	In this paper , the methods of atomic simulation , such as molecular mechanics ( mm ) and molecular dynamics ( md ) , have been used to study the evolvement of microstructure and properties of pyc interphase of c / sic composite . the influences of the evolvement on the mechanism properties and environment properties of c / sic composite have been investigated also via the use of cerius soft package 本文正是用原子级模拟的一些方法，如分子力学、分子动力学等，借助cerius ~ 2材料设计软件来研究c sic复合材料热解碳界面相区域的微结构及性能演变，及其对复合材料整体力学性能及环境性能的影响。

Similar Words：

"分子理论" English translation, "分子理论表面张力" English translation, "分子理论能量" English translation, "分子力" English translation, "分子力场" English translation, "分子联合；分子缔合" English translation, "分子联结" English translation, "分子连接性" English translation, "分子连接性指标数" English translation, "分子怜" English translation