科研项目：
1. 基于DFT理论揭示多因素诱导的区域选择性机制指导高效合成C4-/C7-吲哚衍生物的研究（22163009），国家自然科学基金项目，2022.1.1 -2025.12.31，35万元，在研。
2. 基于DFT理论揭示吲哚衍生物C7位区域选择性机制及其合成应用研究（23JP191），陕西省青年创新团队项目，2023.1.1 -2024.12.31，5万元，在研。
3. 过渡金属催化抗癌性药物-吲哚类衍生物C4位官能团化的机理研究（2021JQ-616），陕西省科技厅计划项目，2022.1.1 -2023.12.31，3万元，结题。
4. 导向基介导的吲哚衍生物区域选择性官能团化的机理研究（YDY2020-39），4001百老汇会员登录科研计划项目，2021.1.1 -2022.12.31，2万元，结题。 5. 新型多核超卤化物的结构及功能性质的理论研究（YDBK2019-31），博士启动基金项目。
学术论文：
1. Jin-Feng Li*, Lan Luo, Zhi-Hui Bai and Bing Yin*. Unveiling the correlation between the catalytic efficiency and acidity of a metal-free catalyst in a hydrogenation reaction. A theoretical case study of the hydrogenation of ethene catalyzed by a superacid arising from a superhalogen. Physical Chemistry Chemical Physics, 2023, 25, 21684 (SCI二区Top)
2. Jin-Feng Li*, Bing Yin* and Ji-Jiang Wang. Mechanistic Insights into Cobalt-Catalyzed Regioselective C4-Alkenylation of 3-Acetylindole: A Detailed Theoretical Study. The Journal of Organic Chemistry, 2022, 87, 14125−14136 (SCI二区Top)
3. Jin-Feng Li*, Jia-Hui Wang, Bing Yin*. Assessment of XC functionals for the study of organic molecules with superhalogen substitution. A systematic comparison between DFT and CCSD (T). The Journal of Chemical Physics, 2022, 156(18): 184303 (SCI二区Top)
4. Jin-Feng Li*, Bing Yin*. Exploring the Superhalogen Properties of Polynuclear Structures without Halogen Ligands: A Combined Ab Initio and DFT Study on Triple-Bridged [Mg2L5]−1 (L= −OCN, −SCN) Anions. The Journal of Physical Chemistry A, 2021, 125(16): 3378-3386 (SCI三区)
5. Hong Liu,‡ Jin-Feng Li‡, Bing Yin*. The coexistence of long τQTM and high Ueff as a concise criterion for a good single-molecule magnet: a theoretical case study of square antiprism dysprosium single-ion magnets. Physical Chemistry Chemical Physics, 2022, 24(19): 11729 (SCI二区Top)
6. Xiangxiang Wu‡ Jin-Feng Li‡, Bing Yin*. The interpretation and prediction of lanthanide single-ion magnets from ab initio electronic structure calculation: the capability and limit. Dalton Transactions, 2022, 51:14793-14816 (SCI二区)
7. Kangkang Li‡, Jin-Feng Li‡, Bing Yin,* and Fanlong Zeng*. Investigation of NNN Pincer Ruthenium (II) Complexes with a Pendant Hydroxyl Group for N‐Monomethylation of amines and Nitroarenes by Methanol. ChemCatChem, 2022, 14, e202101630 (SCI二区)
8. Lin-Yu Wu,‡ Jin-Feng Li‡, Ru-Fang Zhao, Lan Luo, Yong-Cheng Wang* and Bing Yin*. Exploring the structure, bonding and stability of noble gas compounds promoted by superhalogens. A case study on HNgMX3 (Ng= Ar–Rn, M= Be–Ca, X= F–Br) via combined high-level ab initio and DFT calculations. Physical Chemistry Chemical Physics, 2019, 21(35): 19104-19114 (SCI二区Top)
9. Lao-Bang Wang, Ji-Jiang Wang*, Er-Lin Yue, Jin-Feng Li*, Long Tang, Chao Bai, Xiao Wang, Xiang-Yang Hou, Yuqi Zhang. Information encryption, highly sensitive detection of nitrobenzene, tetracycline based on a stable luminescent Cd-MOF. Spectrochimica Acta Part A: M&B.S, 2022, 269,120752 (SCI二区)
10. Lan Luo, Fu-Qiang Zhou, Ru-Fang Zhao, Jin-Feng Li*, Jian-Li Li and Bing Yin *. Combining proton and silaborane-based superhalogen anions-an effective route to new superacids as verified via systematic DFT calculations. Dalton Transactions, 2019, 48(43): 16184-16198 (SCI二区) |
