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- W3149252362 abstract "从 Cu+ 和 Au+ 的地面状态边的 CH3Br 的 HBr 的消除被使用 DFT 方法调查了。导致 CuCH2+ 的一步舞 HBr 消除的机制被识别。为 AuCH2+ 的形成,除一步舞机制以外,通过 C 鈥揃r 契约插入中介的另一条二拍子的圆舞 HBr 消除小径也被发现,并且这条小径是精力充沛地比一步舞机制更有利。AuCH2+ 的形成是的计算反应精力障碍表演精力充沛地比 CuCH2+ 的形成更有利。试验性的观察很好被解释。" @default.
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- W3149252362 date "2008-01-01" @default.
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- W3149252362 title "Elimination of HBr from CH3Br by Cu+ and Au+: A DFT study" @default.
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