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2026
11) J.-B. Lu, J. Li, "Catalyst-free efficient stoichiometric synthesis of ammonia and oxygen from nitrogen and water driven by γ-rays", Phys. Chem. Chem. Phys. 2026, 28, 1105-1110, DOI: 10.1039/D5CP04807A
10) J. Liu, J. Song, J.-B. Lu, G. Ye, J Li, "Development and Applications of Polarizable Force Fields for LiCl-KCl-UCl3 Molten Salt System", Atom. Energy Sci. Technol. 2026, In press (In Chinese) 刘建标, 宋俊杰, 鲁俊波, 叶国安, 李隽, “LiCl-KCl-UCl3 熔盐体系的极化力场发展及应用”, 原子能科学技术, 2026, In press DOI: 10.7538/yzk.2025.youxian.0712
9) Z. Yang, P. Rong, Q. Yu, J Li, "Electronic structure of graphdiyne and its application to single atom/cluster catalysis", Chin. Sci. Bull. 2026, In press (In Chinese) 杨志远, 容萍, 于琦, 李隽, “石墨炔的电子结构及其在单原子/单团簇催化中的应用”, 科学通报, 2026, In press DOI: 10.1360/CSB-2025-5538
8) W. Li, Y. Qiu, J. Li, H. Xiao, "Single-Atom Catalysis Driven by Intrinsic High-Energy Metastable Structures", Sci. Sin. Chim. 2026, In press (In Chinese) 李汶颖, 邱昀泽, 李隽, 肖海 “本征高能亚稳态结构驱动的单原子催化”, 中国科学：化学, 2026, In press DOI: 10.1360/SSC-2025-0261
7) J.-X. Kang, Z. Yao, Z.-H. Wang, C.-Q. Xu, Y.-F. Jiang, Y.-G. Wang, X. Chen, J. Li, "Remarkable Performance of Triatomic Single-Cluster Catalyst of Ti3@Graphdiyne in Electrocatalytic Nitrogen Reduction", J. Chem. Phys. 2026, In press
6) Q. You, X.-L. Jiang, Y. Zhao, W. Gu, J. Li, Z. Wu, "Inverse palladocenes", Nature Commun. 2026, In press
5) J.-B. Lu, J. Li, "Performance of Different Spin–Orbit Operators for the Splitting of 4f-Multiplets in Trivalent Lanthanides", J. Chem. Theory Comput. 2026, In press DOI: 10.1021/acs.jctc.5c01870
4) X.-L. Ma, J.-B. Lu, Y. Zhang, Y.-F. Jiang, J. Li, "Dinitrogen Fixation on Transition Metal Complexes with Flexible Axial Bonding", Chin. J. Struct. Chem 2026, 100831, DOI: 10.1016/j.cjsc.2025.100831
3) Y. Ren, Y.-Y. Zhang, H.-G. Jin, C. Gong, Y. Wei, X. Zhao, W. Shang, H. Sun, Q. Liang, J. Ma, Y. Hu, X.-S. Zhang, J. Li, F. Jiao, Y. Wu, H. Fu, Y. Li, D. Zhang, "Giant Cycloparaphenylene-Scaffolded Porphyrins as Photocatalysts", Angew. Chem. Int. Ed. 2026, e22603, DOI: 10.1002/anie.202522603
2) L.-W. Ye, W. H. E. Schwarz, J. Li, "The Highest Oxidation States of the Rare-Earth Elements and the Challenge of Praseodymium(+5) Compounds", Angew. Chem. Int. Ed. 2026, 65(1), e20932, DOI: 10.1002/anie.202520932
1) R.-Y. Wang, H. Wang, C. Zhu, J.-X. Liang, J. Li, "Computational screening of g-C3N4 supported transition metals single-atom catalysts for electrocatalytic NO reduction reaction", J. Colloid Interface Sci. 2026, 702, 138822, DOI: 10.1016/j.jcis.2025.138822
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