A theoretical study of internal rotation in H2BOBH2 and H2BNBH2-

被引：0
|
作者：
Minyaev, RM
Lepin, EA
机构：
来源：
MENDELEEV COMMUNICATIONS | 1997年 / 02期
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中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
It has been shown by using MP2(fc)/6-31G** and MP2(fc)/6-311+ +G** methods that the internal rotation of H2BNBH2- and H2BOBH2 aliene structures occurs through the corresponding angle structures with a very small energy barrier.
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页码：80 / 82
页数：3
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