[1] |
Guanglong Huang, Xiao-Song Xue.
Computational Study on the Mechanism of Chen’s Reagent as Trifluoromethyl Source
[J]. Acta Chimica Sinica, 2024, 82(2): 132-137.
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[2] |
Xuefeng Liang, Jian Jing, Xin Feng, Yongze Zhao, Xinyuan Tang, Yan He, Lisheng Zhang, Huifang Li.
Electronic Structure of Covalent Organic Frameworks COF66 and COF366: from Monomers to Two-Dimensional Framework
[J]. Acta Chimica Sinica, 2023, 81(7): 717-724.
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[3] |
Lei Yang, Jiaoyang Ge, Fangli Wang, Wangyang Wu, Zongxiang Zheng, Hongtao Cao, Zhou Wang, Xueqin Ran, Linhai Xie.
A Theoretical Study on the Effective Reduction of Internal Reorganization Energy Based on the Macrocyclic Structure of Fluorene
[J]. Acta Chimica Sinica, 2023, 81(6): 613-619.
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[4] |
Liu Zhenyu, Gan Li-Hua.
Molecular Dynamics Simulation of Acetylene Pyrolysis into Fullerenes
[J]. Acta Chimica Sinica, 2023, 81(5): 502-510.
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[5] |
Jie Yang, Lin Ling, Yuxue Li, Long Lu.
Density Functional Theory Study on Thermal Decomposition Mechanisms of Ammonium Perchlorate
[J]. Acta Chimica Sinica, 2023, 81(4): 328-337.
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[6] |
Shaoqin Zhang, Meiqing Li, Zhongjun Zhou, Zexing Qu.
Theoretical Study on the Multiple Resonance Thermally Activated Delayed Fluorescence Process
[J]. Acta Chimica Sinica, 2023, 81(2): 124-130.
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[7] |
Yizhi Han, Jianhui Lan, Xue Liu, Weiqun Shi.
Advances in Molecular Dynamics Studies of Molten Salts Based on Machine Learning
[J]. Acta Chimica Sinica, 2023, 81(11): 1663-1672.
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[8] |
Jinjing Liu, Na Yang, Li Li, Zidong Wei.
Theoretical Study on the Regulation of Oxygen Reduction Mechanism by Modulating the Spatial Structure of Active Sites on Platinum★
[J]. Acta Chimica Sinica, 2023, 81(11): 1478-1485.
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[9] |
Ge-Hua Wen, Wendurina, Xiumei Chen, Xiu-Fang Ma, Guo-Guo Weng, Yi-Fan Wei, Song-Song Bao, Xiaoji Xie, Shu-Xian Hu, Li-Min Zheng.
Layered Uranyl Phosphonate as A Dual-response Luminescence Thermometer★
[J]. Acta Chimica Sinica, 2023, 81(10): 1311-1317.
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[10] |
Ke Zhao, Xiayu Cheng, Xuexue Ma, Minghui Geng.
Mechanism of Two-photon Absorption Enhancement for a Piperazine-based Zinc Ion Probe
[J]. Acta Chimica Sinica, 2023, 81(10): 1371-1378.
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[11] |
Xuefei Luan, Congzhi Wang, Liangshu Xia, Weiqun Shi.
Theoretical Studies on the Interaction of Uranyl with Carboxylic Acids and Oxime Ligands
[J]. Acta Chimica Sinica, 2022, 80(6): 708-713.
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[12] |
Luocong Wang, Zhewei Li, Caiwei Yue, Peihuan Zhang, Ming Lei, Min Pu.
Theoretical Study on the Isomerization Mechanism of Azobenzene Derivatives under Electric Field
[J]. Acta Chimica Sinica, 2022, 80(6): 781-787.
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[13] |
Wenchao Bi, Linfeng Zhang, Jian Chen, Ruixue Tian, Hao Huang, Man Yao.
Lithiation Mechanism and Performance of Monoclinic ZnP2 Anode Materials
[J]. Acta Chimica Sinica, 2022, 80(6): 756-764.
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[14] |
Zhifan Wang, Bing He, Yanzhao Lu, Fan Wang.
Single-precision CCSD and CCSD(T) Calculations with Density Fitting Approximations on Graphics Processing Units
[J]. Acta Chimica Sinica, 2022, 80(10): 1401-1409.
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[15] |
Yinghui Wang, Simin Wei, Jinwei Duan, Kang Wang.
Mechanism of Silyl Enol Ethers Hydrogenation Catalysed by Frustrated Lewis Pairs: A Theoretical Study
[J]. Acta Chimica Sinica, 2021, 79(9): 1164-1172.
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