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Group effect on ionization potential for mono‐substituted aliphatic compounds |
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| Authors: | Guanfan Chen Mengzhuo Tang Rongjin Zeng Wanqiang Liu Chenzhong Cao |
| Institution: | 1. School of Chemistry and Chemical Engineering, Hunan University of Science and Technology, Xiangtan, Hunan Province, China;2. Key Laboratory of Theoretical Organic Chemistry and Function Molecule of Ministry of Education, Hunan University of Science and Technology, Xiangtan, Hunan Province, China;3. Hunan Provincial University Key Laboratory of QSAR/QSPR, Xiangtan, Hunan Province, China |
| Abstract: | |
| Keywords: | DFT method group effect ionization potential mono‐substituted aliphatic compound |