摘要 : Transition structures for the addition of ammonia to s-cis and s-trans acrolein, emthyl vinyl ketone, and 2-butenal have been located with ab initio molecular orbital calculations. Optimization of the geometries of reactants, tran... 展开
作者 | Nurten Tezer Refik Ozkan |
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作者单位 | |
期刊名称 | 《Journal of Molecular Structure. Theochem: Applications of Theoretical Chemistry to Organic, Inorganic and Biological Problems》 |
总页数 | 10 |
语种/中图分类号 | 英语 / O641 |
关键词 | alpha beta -unsaturated carbonyl compounds nucleophilic addition amines conjugate addition molecular orbital |
馆藏号 | N2008EPST0000953 |