摘要
用经改进的分子力学方法MPM对一系列硫杂冠醚铜（Ⅱ）配合物进行了研究．对它们的构象和能量的分子力学计算结果表明，在这类配合物中，五员鳌环比六员鳌环稳定，随冠醚环大小和分子内张力的变化。
The research with molecular mechanics method for the titled compounds has beencarried out in this paper by using the modified program MMPM. The enrgies and conformations calculated in this paper showed that the five membered chelated rings are more stablethan the six membered ones, the strain energies, modynamics stabitities, dynamic stabilities vary regularly with the ring size varation as well.
出处
《分子科学学报》
CAS
CSCD
1997年第1期12-15,共4页
Journal of Molecular Science
