C-H键活化反应的密度泛函理论模拟![]()
对简化模型的评估
张磊, 徐增平, 于皓宇, 方德彩
Density Functional Theoritical Studies on Catalytic C-H Activation Reaction: Problem of Truncated Model†
ZHANG Lei, XU Zengping, YU Haoyu, FANG Decai
高等学校化学学报
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2014, (6): 1241
-1246
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DOI: 10.7503/cjcu20140246
