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刘司原 2017级研究生     进组时间: 2017年9月    离组时间: 2020年6月

刘思原,2017级的硕士研究生,目前在上海从事生物医药方面的工作。

发表论文:

1.Using Pauli energy to appraise the quality of approximate semilocal non-interacting kinetic energy density functionals, Siyuan Liu, Dongbo Zhao,  Chunying Rong, Tian Lu, and Shubin Liu, J. Chem. Phys. 150, 204106 (2019).

2.Toward Density-Based and Simultaneous Description of Chemical Bonding and Noncovalent Interactions with Pauli Energy, Shujing Zhong, Xin He, Siyuan Liu, Bin Wang, Tian Lu, Chunying Rong, and Shubin Liu,J. Phys. Chem. A 126, 2437–2444 (2022).

3.A density functional theory and information-theoretic approach study of chiral molecules in external electric fields, Jie Chen, Siyuan Liu, Meng Li, Chunying Rong, and Shubin Liu, Chem. Phys. Lett. 757, 137858 (2020).

4.Is It Possible to Determine Oxidation States for Atoms in Molecules Using Density-Based Quantities? An Information-Theoretic Approach and Conceptual Density Functional Theory Study, Jingyi Wu, Donghai Yu, Siyuan Liu, Chunying Rong, Ai-Guo Zhong, Pratim Kumar Chattaraj, and Shubin Liu, J. Phys. Chem. A, 123(31), 6751-6760 (2019)

5.Homogeneous Molecular Systems are Positively Cooperative but Charged Molecular Systems are Negatively Cooperative, Chunying Rong, Dongbo Zhao, Tianjing Zhou, Siyuan Liu, Donghai Yu, and Shubin Liu, J. Phys. Chem. Lett., 10, 1716–1721 (2019).

6.On the negative cooperativity of argon clusters containing one lithium cation or fluorine anion, Tiangjing Zhou, Siyuan Liu, Donghai Yu, Dongbo Zhao, Chunying Rong, and Shubin Liu, Chem. Phys. Lett. 716, 192 – 198 (2019).

7.Towards Understanding Isomeric Stability of Fullerenes with Density Functional Theory and Information-Theoretic Approach, Dongbo Zhao, Siyuan Liu, Chunying Rong, Aiguo Zhong, and Shubin Liu, ACS Omega, 3(12), 17986–17990 (2018).