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Home > english-chinese > "分子力学" in Chinese

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