| Ab initio Study on the Molecular Geometry,Electronic Structure and Thermodynamic Properties of Benzotrifuroxan(BTF) |
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| 引用本文： | 贡雪东,董海山,等. Ab initio Study on the Molecular Geometry,Electronic Structure and Thermodynamic Properties of Benzotrifuroxan(BTF)[J]. 结构化学, 1999, 18(2): 124-130 |
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| 作者姓名： | 贡雪东 董海山 等 |
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| 作者单位： | GONG Xue Dong XIAO He Ming * (Department of Chemistry，Nanjing University of Science and Technology，Nanjing 210094，China |
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| 基金项目： | 中国工程物理研究院基金，960539， |
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| 摘 要： | １ＩＮＴＲＯＤＵＣＴＩＯＮＢｅｎｚｏｔｒｉｆｕｒｏｘａｎ（ＢＴＦ）ｉｓａｐｏｗｅｒｆｕｌ，ｈｙｄｒｏｇｅｎｆｒｅａｎｄｒｅｌａｔｉｖｅｌｙｓｅｎｓｉｔｉｖｅｅｘｐｌｏｓｉｖｅ．Ｓｉｎｃｅｔｈｉｓｃｏｍｐｏｕｎｄｗａｓｆｉｒｓｔｐｒｅｐａｒｅｄ，ｉ...
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| 关 键 词： | 五节杂环 分子几何学 热力学性能 电子结构 苯并三（氧二氮杂茂） |
Ab initio Study on the Molecular Geometry,Electronic Structure and The |
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| GONG Xue Dong XIAO He Ming. Ab initio Study on the Molecular Geometry,Electronic Structure and The[J]. Chinese Journal of Structural Chemistry, 1999, 18(2): 124-130 |
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| Authors: | GONG Xue Dong XIAO He Ming |
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| Affiliation: | [1]DepartmentofChemistry,NanjingUniversityofSciencean [2]DepartmentofChemistry,Nanjing |
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| Abstract: | |
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| Keywords: | benzotrifuroxan(BTF) ab initio MO method molecular geometry electronic structure IR frequency thermodynamic property |
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