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Volume 116, 2018 - Issue 7-8: 13th National Quantum Chemistry Congress (NQCC) of China (June 8-11, 2017, Dalian)

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Molecular Physics in China

Structure, aromaticity and reactivity of corannulene and its analogues: a conceptual density functional theory and density functional reactivity theory study

Youer DengKey Laboratory of Chemical Biology and Traditional Chinese Medicine Research (Ministry of Education of China), College of Chemistry and Chemical Engineering, Hunan Normal University, Changsha, P.R. ChinaView further author information

Donghai YuKey Laboratory of Chemical Biology and Traditional Chinese Medicine Research (Ministry of Education of China), College of Chemistry and Chemical Engineering, Hunan Normal University, Changsha, P.R. ChinaView further author information

Xiaofang CaoKey Laboratory of Chemical Biology and Traditional Chinese Medicine Research (Ministry of Education of China), College of Chemistry and Chemical Engineering, Hunan Normal University, Changsha, P.R. ChinaView further author information

Lianghong LiuDepartment of Pharmacy, Hunan University of Medicine, Huaihua, P.R. ChinaView further author information

Chunying RongKey Laboratory of Chemical Biology and Traditional Chinese Medicine Research (Ministry of Education of China), College of Chemistry and Chemical Engineering, Hunan Normal University, Changsha, P.R. ChinaView further author information

Tian LuBeijing Kein Research Center for Natural Sciences, Beijing, P.R. ChinaView further author information

Shubin LiuResearch Computing Center, University of North Carolina, Chapel Hill, NC, USACorrespondence[email protected]
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Pages 956-968 | Received 29 Sep 2017, Accepted 31 Oct 2017, Published online: 30 Nov 2017

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https://doi.org/10.1080/00268976.2017.1403657
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Structure, aromaticity and reactivity of corannulene and its analogues: a conceptual density functional theory and density functional reactivity theory study

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Structure, aromaticity and reactivity of corannulene and its analogues: a conceptual density functional theory and density functional reactivity theory study

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