| 一类新型碳管元素簇的结构与稳定性 |
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| 引用本文： | 曹泽星.一类新型碳管元素簇的结构与稳定性[J].湖南师范大学自然科学学报,1995,18(2):36-39. |
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| 作者姓名： | 曹泽星 |
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| 作者单位： | 湖南师范大学化学系 |
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| 摘 要： | 本文报导了一类由（ｋ－１）ｐ个四边面（侧面）两个ｐ边面（顶底）围成的多面体碳管Ｃｐ×ｋ，采用ＭＮＤＤ理论方法对其结构、稳定性及成键特征进行了调查，结果表明该类碳管的电离势、ＨＯＭＯ与ＬＵＭＯ能级差的变化和电荷分布，随管层的递增具有显著的交替特征．
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| 关 键 词： | 碳管笼烯 元素簇 碳 稳定性 |
The Structure and Stability of One New Type of Carbon Tube Cage-Alkene |
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| Cao Zexing.The Structure and Stability of One New Type of Carbon Tube Cage-Alkene[J].Journal of Natural Science of Hunan Normal University,1995,18(2):36-39. |
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| Authors: | Cao Zexing |
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| Abstract: | One new type of carbon tube cage-alkene was presented. Structures, stabilities and bonding behavior were examined with MNDO method for the carbon tube. The outstanding changing features of ionization potentials, differences between HOMO and LUMO energy level and charge distribution were shown. |
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| Keywords: | carbon tube cage-alkene elemental clusters MNDO |
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