| 共价成键的物理图象 |
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| 引用本文： | 倪申宽,沈良骏.共价成键的物理图象[J].安徽师范大学学报(自然科学版),1990,13(4):45-50. |
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| 作者姓名： | 倪申宽 沈良骏 |
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| 摘 要： | 本文利用从头计算法定量地讨论共价成键的物理图象。计算结果表明,共价成键是核间电荷积累、轨道收缩和动能变化综合作用的结果。
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| 关 键 词： | 共价键 物理图象 从头算 轨道收缩 |
Physical Picture of the Covalent Bonding |
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| Ni Shenkuan Shen Liangjun.Physical Picture of the Covalent Bonding[J].Journal of Anhui Normal University(Natural Science Edition),1990,13(4):45-50. |
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| Authors: | Ni Shenkuan Shen Liangjun |
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| Institution: | Department of Chemistry |
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| Abstract: | The physical picture for the formation of covalent bond have been discussed by using the quantum ehemistry ab initio calculatiorts. The results show that the covalent bonding is a syathetic procedure of charge accumulation. orbital contraction adn kinet'c energy changing. |
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| Keywords: | Ab initio calculation Covalent bond Orbital contraction |
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