期刊论文详细信息
Bulletin of the Korean chemical society
Reactions of Acetyl Radical with Acetylene ? A Computational Study Tu Anh Tran, Carl H. Schiesser*
Ab initio1  DFT molecular orbital calculations predict that acetyl radical reacts with acetylene through interactions primarily involving the SOMO of the radical1  the in plane ¥ð bond of acetylene An energy barrier (¥ÄE1) of 39.6 kJ mol1 is predic1 
关键词: Acetyl radical;    Acetylene;    Molecular orbital calculations;   
DOI  :  
学科分类:化学(综合)
来源: Korean Chemical Society
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