摘要
采用量子化学ＣＮＤＯ／２方法，从稳定化能、偶极矩和净电荷等方面比较了锂键和氢键的异同，计算表明：锂键的本质主要是静电相互作用，存在有类似于氢键的各种性质。
In this paper,the lithium-bonds and the Hydrogen-bonds are Comparatively studied bymeans of the CNDO/2 of quanfum chemistry.The results show that the natures of theLithium-bonds are similar to the hydrogen-bonds and mainly electrostatic interaction.
出处
《哈尔滨师范大学自然科学学报》
1995年第3期63-66,共4页
Natural Science Journal of Harbin Normal University
关键词
氢键
锂键
偶极矩
净电荷
量子化学
化学键
Hydrogen-bond
Lithium-bond,CNDO/2 method
Stabilization energy
Netcharge
Dipole moment
