| 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. | His research focuses on the molecular mechanics of pre - mrna splicing , the evolution and regulation of alternative splicing , and splicing defects associated with cancers and inherited diseases
他的研究集中在转录子剪接的分子机制、选择性剪接的演化和调节，以及和剪接缺陷有关的癌症及遗传疾病。 |
| 4. | 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。 |
| 5. | 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。 |
| 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。 |
