| 锂键和氢键体系比较的半经验分子轨道法研究 |
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| 引用本文： | 杨明明,崔瑞海.锂键和氢键体系比较的半经验分子轨道法研究[J].哈尔滨师范大学自然科学学报,1995,11(3):63-66. |
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| 作者姓名： | 杨明明 崔瑞海 |
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| 作者单位： | 黑龙江省教育学院，哈尔滨师范专科学校 |
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| 摘 要： | 采用量子化学ＣＮＤＯ／２方法，从稳定化能、偶级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。
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| 关 键 词： | 氢键 锂键 偶极矩 净电荷 量子化学 化学键 |
QUANTUM CHEMISTRY DISCUSSION OF LITHIUM-BOND AND HYDROGEN -BOND SYSTEMS |
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| Yang mingming,Cui Ruihai.QUANTUM CHEMISTRY DISCUSSION OF LITHIUM-BOND AND HYDROGEN -BOND SYSTEMS[J].Natural Science Journal of Harbin Normal University,1995,11(3):63-66. |
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| Authors: | Yang mingming Cui Ruihai |
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| Institution: | Yang mingming;Cui Ruihai(Heilongjiang Education College)(Harbin Teacher's college) |
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| Abstract: | 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. |
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| Keywords: | Hydrogen-bond Lithium-bond CNDO/2 method Stabilization energy Netcharge Dipole moment |
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