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检索条件"作者=zhao Hongmei1.2.3. SUN Chengke1.4, ZHANG Rongchang3. XI Hongmin3.& {1. Zonghe1.1. Department of Chemistry, beijing Normal University, beijing 1.0875, china"
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Theoretical study on the reaction mechanism of(CH_3)_3CO+CO
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Science china {1. 2005年 第1期48卷 18-24页
作者： zhao hongmei1.2.3. sun chengke1.4, zhang rongchang3. xi hongmin3.& LI zonghe1.1. department of chemistry, beijing normal university, beijing 1.0875, china 2. The Laboratory of Molecular Reaction Dynamics, Institute of chemistry, Chinese Academy of Sciences, beijing 100080, china 3. department of chemistry, Beihua university, Jilin 132013, china 4. department of chemistry, Qujing normal university, Yunnan 655000, china department of {1. Beijing Normal University Beijing China The Laboratory of Molecular Reaction Dynamics Institute of Chemistry Chinese Academy of Sciences Beijing China department of {1. Beihua University Jilin China department of {1. Qujing Normal University Yunnan China
The reaction mechanism of (CH3)3CO with CO has been theoretically investigated using density-functional theory (DFT) calculations at B3LYP/6-31.* level. In order to get more reliable energy values the single-point ene... 详细信息
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