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Charge effects on alkanes and the potential applications in selective catalysis: insights from theoretical studies |
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| Authors: | Gang Yang Chengbu Liu Xiuwen Han Xinhe Bao |
| Affiliation: | 1. State Key Laboratory of Catalysis , Dalian Institute of Chemical Physics, Chinese Academy of Sciences , 457 Zhongshan Road, Dalian, 116023, P.R. China dicpyanggang@yahoo.com.cn;3. Institute of Theoretical Chemistry, Shandong University , Jinan, 250100, P.R. China;4. State Key Laboratory of Catalysis , Dalian Institute of Chemical Physics, Chinese Academy of Sciences , 457 Zhongshan Road, Dalian, 116023, P.R. China |
| Abstract: | |
| Keywords: | ab initio calculations alkanes charge effects C–H bonds selective activations |