李澜 瞿志豪 王竑 李宗和, Ji Zhi-Hao Wang Hong Li Zong-He Li Lan
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引用次数: 0
摘要
在B3LYP/6-31G**和MP2/6-311G**水平上, 计算了终致癌物甲基重氮烷阳离子(CH 3 N 2 + )在气相和水溶剂中与四种DNA碱基上10个亲核位发生甲基化过程的反应机理. 结果表明：在气相和溶剂中, 终致癌物CH 3 N 2 + 对碱基上相应亲核位的甲基化反应过程, 活化能都比较小(
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