1) lizi
力子
2) nucleon-nucleon force
核子-核子力
3) molecular mechanics
分子力学
1.
The optimized geometric and relative energies of a series of p-methylcalixarene were studied with PM3 and molecular mechanics(MM) methods.
主要运用PM3及分子力学(MM)方法研究了对甲基系列杯[4]芳烃的分子几何和相对能量。
2.
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.
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。
3.
A combination of molecular mechanics(MM) and the molecul.
首先,根据EDGA分子在纳米管壁中的受力情况,确定了相当于二维周期边界条件的三维周期边界模型,由分子动力学构象搜索法寻找低能量的分子构象,进而运用分子力学、分子动力学交替进行的退火算法对EDGA单层膜聚集体进行模拟计算;结果得到分子两端基谷氨酸的构象不同的最低能量的分子构象,和螺旋与弯曲两种趋势同时存在的EDGA单层膜聚集体。
4) intermolecular force
分子间力
1.
Determination of intermolecular force in the chloroform aqueous solution;
氯仿水溶液中分子间力的测定
5) molecular mechanism
分子力学
1.
0 after optimizing the molecular by MM2 and MM+molecular mechanism methods,combined with the number of methyl group(N_m),a formula consisting of two parameters was proposed to calculate the boiling point ( Tb ) of aliphatic aldehydes and alkanones:In(815.
利用分子力学MM2以及MM+的方法,将72个脂肪族醛酮分子作构象优化,再利用化学软件HyperChem Release 7。
2.
The different configurations of the two new pyrazolin β-diketone compounds have been designed by using the molecular mechanism program and the lowest energy conformation has been obtained.
3软件 ,对 1 -苯基 - 3 -甲基 - 4- (邻 -甲酰基苯甲酸 ) - 2 -吡唑啉 - 5 -酮 (化合物 A)和 1 -苯基 - 3 -甲基 - 4- (顺 -乙酰基丁烯酸 ) - 2 -吡唑啉 - 5 -酮 (化合物 B)进行了分子力学计算 ,得到其酮式、环烯醇式和链烯醇式的最低能量构象分子 。
6) force field
分子力场
1.
PCFF and COMPASS force fields were used to describe PDMS and PS1 polymeric systems and to estimate the diffusion coefficient of N2 and O2 through the PDMS and PS1 matrices at 298 K by molecular dynamics simulation.
选择PCFF和COMPASS分子力场对橡胶态聚合物PDMS和玻璃态聚合物PS1体系进行模拟。
补充资料：力子
1.谓勤勉的人。
说明：补充资料仅用于学习参考，请勿用于其它任何用途。
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