Theoretical Study of the NO Reduction Mechanism on Biochar Surfaces Modified by Li and Na Single Adsorption and OH Co-Adsorption von Su, Qiong, Ren, Fang, Lu, Mengmeng, Zhao, Jinqin, Zhu, Xingchen, Shen, Tao, Shen, Yan, Wang, Yanbin, Liang, Junxi

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Reaction of CHCl− with HCHO and H2O: A theoretical study von Junxi, Liang, Fupeng, Zhang, Bomiao, Qi, Weimin, Jia, Hongqiang, Liu, Qiong, Su

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Investigation on the Mechanism of PAL (100) Surface Modified by APTES von Jia, Weimin, Qi, Bomiao, Wang, Yanbin, Lu, Zhibin, Wang, Jiqian, Su, Qiong, Nian, Jingyan, Liang, Junxi

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Effects of substitutions in the equatorial position on the stabilities of pentacoordinated silicon anions of ClSiabcOCl− (a, b, c = H, F, Cl) from theoretical investigation von Junxi, Liang, Yingxue, Wang, Li, Liu

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A comparable DFT study on reaction of CHCl•− with O3 and S2O von Fupeng, Zhang, Junxi, Liang, Bomiao, Qi, Mengmeng, Lu, Shaofeng, Pang, Yanbin, Wang, Qiong, Su

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Theoretical study of isomers XBEY, BEXY, and XYBE (E = N, P, and As, and X, Y = F and Cl): Substituent effect von Junxi, Liang, Yu, Duan, Jun, Bai, Zhenhua, Li, Xiaoe, Wang, Qiong, Su

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Investigation on Be, Mg, Ca, B, Ga, C, Si, and Ge atoms doped on Al (111) surface and their effect on oxygen adsorption: A first-principle calculation von Junxi, Liang, Bomiao, Qi, Mengmeng, Lu, Yaoyu, Zhou, Fang, Ren, Yan, Shen, Guihua, Li, Shaofeng, Pang, Yanbin, Wang, Qiong, Su

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COMPARATIVE INSIGHTS INTO HYDROGEN ABSTRACTION OF CCL3H BY SMALL OXYGEN-CONTAINING ANIONS MO- WITH M = BE, B, AND AL von Junxi, Liang, Fupeng, Zhang, Yu, Duan, Jun, Bai, Qiong, Su, Zhenhua, Li, Lili, Zhang

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A Blockchain-Based Fairness Guarantee Approach for Privacy-Preserving Collaborative Training in Computing Force Network von Sun, Zhe, Li, Weiping, Liang, Junxi, Yin, Lihua, Li, Chao, Wei, Nan, Zhang, Jie, Wang, Hanyi

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SN2 Reaction of IO− + CH3Cl: An Ab Initio and DFT Benchmark Study von Liang, Junxi, Su, Qiong, Wang, Yanbin, Geng, Zhiyuan

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Synthesis and characterization of cyclodextrin-based acrylamide polymer flocculant for adsorbing water-soluble dyes in dye wastewater von Su, Qiong, Wang, Yuxing, Sun, Wanhong, Liang, Junxi, Meng, Shujuan, Wang, Yanbin, Li, Zhenhua

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Theoretical Insights into Three Types of Oxidized Starch-Based Adhesives: Chemical Stability, Water Resistance, and Shearing Viscosity from a Molecular Viewpoint von Yanbin, Wang, Yamin, Zhao, Su, Qiong, Junxi, Liang

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Simulation Investigation on Flame Retardancy of the PVAc/ATP Nanocomposite von Junxi, Liang, Li, Liu, Yanbin, Wang, Su, Qiong

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Understanding halogen-substituent assistance in H-atom abstraction-based reactions of CHCl− with CH4 − nXn (X = H, F, Cl; n = 0-3) von Junxi, Liang, Yu, Li, Qiang, Zhang, Zhiyuan, Geng

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Comparative Computational Study of Hydrogen Abstraction Reactions of CY3H + XO− (X, Y = F, Cl, and Br) von Junxi, Liang, Qiong, Su, Dezhi, Zhao, Yanbin, Wang, Guihua, Li, Zhiyuan, Geng

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Multiple chirality inversion of pyridine Schiff-base cholesterol-based metal-organic supramolecular polymers von Wang, Yanbin, Liu, Chongtao, Fu, Kuo, Liang, Junxi, Pang, Shaofeng, Liu, Guofeng

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DFT study on the reactions of ClO–/BrO– with RCl (R = CH3, C2H5, and C3H7) in gas phase von Junxi, Liang, Yanbin, Wang, Qiang, Zhang, Yu, Li, Zhiyuan, Geng, Xiuhong, Wang

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Metal-free and flexible surface-enhanced Raman scattering substrate based on oxidized carbon cloth von Meng, Shujuan, Liang, Junxi, Jia, Weimin, Zhang, Ping, Su, Qiong, Wang, Chengjun, An, Lili, Chen, Lihua, Wang, Yanbin

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Superhydrophobic biochars as catalysts for efficient hydrogen transfer in N-heterocycles and nitrobenzene reactions von Pang, Shaofeng, Xi, Xiaoting, Liu, Shimin, Wang, Ben, Liang, Junxi, Zhang, Yujing, Chen, Qi, Su, Qiong, Wang, Yanbin

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Selective Adsorbent Design with Multifunctional Surfaces: Innovating Solutions for Heterogeneous Catalysis in Water von Wang, Yanbin, Liang, Junxi, Liu, Shimin, Wang, Qing, Zhang, Yujing, Tian, Yu, Ke, Zhengang, Su, Qiong, Pang, Shaofeng

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