Ab initio Study on the Molecular Geometry, Electronic Structure and Thermodynamic Properties of Benzotrifuroxan(BTF)

被引：0
|
作者：
GONG Xue Dong\ XIAO He Ming * (Department of Chemistry
机构：
来源：
结构化学 | 1999年 / 02期
关键词：
benzotrifuroxan(BTF); ab initio MO method; molecular geometry; electronic structure; IR frequency; thermodynamic property;
D O I：
10.14102/j.cnki.0254-5861.1999.02.011
中图分类号：
O641.121 [];
学科分类号：
摘要：
１ＩＮＴＲＯＤＵＣＴＩＯＮＢｅｎｚｏｔｒｉｆｕｒｏｘａｎ（ＢＴＦ）ｉｓａｐｏｗｅｒｆｕｌ，ｈｙｄｒｏｇｅｎｆｒｅａｎｄｒｅｌａｔｉｖｅｌｙｓｅｎｓｉｔｉｖｅｅｘｐｌｏｓｉｖｅ．Ｓｉｎｃｅｔｈｉｓｃｏｍｐｏｕｎｄｗａｓｆｉｒｓｔｐｒｅｐａｒｅｄ，ｉ...
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页码：49 / 55
页数：7
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