| [1] |
Ning Li, Lina Xu, Guoyong Fang, Yingjin Ma.
Fault-tolerant Coded Quantum Chemical Distributed Calculation
[J]. Acta Chimica Sinica, 2024, 82(2): 138-145.
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| [2] |
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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| [3] |
Juan Wang, Huamin Xiao, Ding Xie, Yuanru Guo, Qingjiang Pan.
Density Functional Theory Study of Structures of Copper-doped and Graphitic Carbon Nitride-combined Zinc Oxides and Their Boosted Nitrogen Dioxide-sensing Performance
[J]. Acta Chimica Sinica, 2023, 81(11): 1493-1499.
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| [4] |
Xiandan Chai, Wenfa Chen, Qiunan Yan, Binwen Liu, Xiaoming Jiang, Guocong Guo.
Rb2MGe3S8 (M=Zn, Cd): Non-Centrosymmetry Transformation Led by Structure Change of [MGe3S8]2- Unit※
[J]. Acta Chimica Sinica, 2022, 80(5): 633-639.
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| [5] |
Rui Guo, Xing Wei, Moyun Cao, Yan Zhang, Yun Yang, Jibin Fan, Jian Liu, Ye Tian, Zekun Zhao, Li Duan.
Optical and Tunable Electronic Properties of AlAs/InSe Van Der Waals Heterostructures
[J]. Acta Chimica Sinica, 2022, 80(4): 526-534.
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| [6] |
Kai Qiu, Mingxia Yan, Shouwang Zhao, Shengli An, Wei Wang, Guixiao Jia.
Theoretical Study on the Structural Stability and Oxygen Ion Oxidation of Al-doped Lithium-ion Battery Layered Cathode Li(Li0.17Ni0.17Al0.04Fe0.13Mn0.49)O2
[J]. Acta Chimica Sinica, 2021, 79(9): 1146-1153.
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| [7] |
Chengqiao Li, Yibo Wang.
A Combination Method of Quantum Chemistry and Its Application to the Study of the Effects of Mercury on the Formation of Sulfuric Acid Aerosol
[J]. Acta Chimica Sinica, 2021, 79(8): 1065-1072.
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| [8] |
Yan Wang, Yingqi Tian, Zhong Jin, Bingbing Suo.
Hartree-Fock and Density Functional Calculations on Graphics Processing Unit
[J]. Acta Chimica Sinica, 2021, 79(5): 653-657.
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| [9] |
Si Wang, Jialing Ma, Lifang Chen, Xin Zhang.
Role of Synergistic Effect in Oxygen Evolution Reaction over Layered Double Hydroxide
[J]. Acta Chimica Sinica, 2021, 79(2): 216-222.
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| [10] |
Danqi Zhang, Yingbo Shao, Hanliang Zheng, Biying Zhou, Xiao-Song Xue.
Mechanistic Study on the Bidentate Nitrogen-Ligated Iodine(V) Reagent Promoted Oxidative Dearomatization of Phenols
[J]. Acta Chimica Sinica, 2021, 79(11): 1394-1400.
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| [11] |
Huang Rongyi, Shen Qiong, Zhang Chao, Zhang Shaoyong, Xu Heng.
Studies on the Mechanism of the Transition Metal-Catalyzed Reaction of Organonitrile with Sodium Azide
[J]. Acta Chimica Sinica, 2020, 78(6): 565-571.
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| [12] |
Li Wuyang, Xu Lejin.
Research Methods for the Degradation Mechanism of Organic Pollutants in Wastewater
[J]. Acta Chim. Sinica, 2019, 77(8): 705-716.
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| [13] |
Cao Ai-Hua, Wu Bo, Gan Li-Hua.
Pc-carbon:A Possible Superhard Monoclinic Carbon Allotrope
[J]. Acta Chim. Sinica, 2019, 77(5): 455-460.
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| [14] |
Bo Yifan, Liu Yuyu, Chang Yongzheng, Li Yinxiang, Zhang Xiaofei, Song Chunyuan, Xu Weifeng, Cao Hongtao, Huang Wei.
Theoretical and Experimental Studies on Raman Spectroscopy of Cyclic Fluorene-Based Strained Semiconductors
[J]. Acta Chim. Sinica, 2019, 77(5): 442-446.
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| [15] |
Yang, Pengli, Wang, Zhenxing, Liang, Zun, Liang, Hongtao, Yang, Yang.
A Molecular Dynamics Simulation Study of the Effect of External Electric Field on the Water Surface Potential
[J]. Acta Chimica Sinica, 2019, 77(10): 1045-1053.
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