Discovery of potential RIPK1 inhibitors by machine learning and molecular dynamics simulations von Liu, Ji-xiang, Na, Ri-song, Yang, Lian-juan, Huang, Xu-ri, Zhao, Xi

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3D hierarchical flower-like TiO2 nanostructure: morphology control and its photocatalytic property von Tian, Guohui, Chen, Yajie, Zhou, Wei, Pan, Kai, Tian, Chungui, Huang, Xu-ri, Fu, Honggang

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Alkali metal atom-aromatic ring: A novel interaction mode realizes large first hyperpolarizabilities of M@AR (M = Li, Na, and K, AR = pyrrole, indole, thiophene, and benzene) von Yu, Guangtao, Huang, Xu-Ri, Chen, Wei, Sun, Chia-Chung

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Molecular simulations study of novel 1,4‐dihydropyridines derivatives with a high selectivity for Cav3.1 calcium channel von Liu, Xiaoguang, Yu, Hui, Zhao, Xi, Huang, Xu‐Ri

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The value of tissue quantitative diffusion analysis of ultrasound elastography in the diagnosis of early-stage chronic kidney disease von Zhang, Dan-Ling, Chen, Sheng, Xu, Jia-Ming, Na-Lin, Wu, Hai-Yan, Zhou, Jin-Mei, Chen, Zhao-Ping, Huang, Xu-Ri, Wei, Li-Xin, Liu, Dai-Xiang

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Numerical simulation of the electromagnetic field in layered media applicable to high-frequency scenarios von Li, Kun, Huang, Xu-Ri, Chen, Kang, Xu, Yun-Gui, Cao, Wei-Ping

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Large static first and second hyperpolarizabilities dominated by excess electron transition for radical ion pair salts M2+TCNQ•- (M = Li, Na, K) von LI, Zong-Jun, WANG, Fang-Fang, LI, Zhi-Ru, XU, Hong-Liang, HUANG, Xu-Ri, DI WU, WEI CHEN, YU, Guang-Tao, FENG LONG GU, AOKI, Yuriko

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Exceptionally Large Second-Order Nonlinear Optical Response in Donor-Graphene Nanoribbon-Acceptor Systems von Zhou, Zhong-Jun, Li, Xiao-Ping, Ma, Fang, Liu, Zhen-Bo, Li, Zhi-Ru, Huang, Xu-Ri, Sun, Chia-Chung

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Marchenko imaging based on self-adaptive traveltime updating von Chen, Xiao-Chun, Hu, Ye-Zheng, Huang, Xu-Ri, Zhang, Hou-Zhu, Cao, Wei-Ping, Xu, Yun-Gui, Tang, Jing

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Mechanism Insights of Ethane C–H Bond Activations by Bare [FeIIIO]+: Explicit Electronic Structure Analysis von Sun, Xiao-Li, Huang, Xu-Ri, Li, Ji-Lai, Huo, Rui-Ping, Sun, Chia-Chung

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Accurate potential surfaces for the ground state of H+C2 reaction von Wang, De-Quan, Fu, Li-Wei, Qu, Ze-Xing, Chen, Ya-Kun, Huang, Xu-Ri

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Understanding the Effects of Bidentate Directing Groups: A Unified Rationale for sp(2) and sp(3) C-H Bond Activations von Tang, Hao, Huang, Xu-Ri, Yao, Jiannian, Chen, Hui

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A computational mechanistic study of pH-dependent alcohol dehydrogenation catalyzed by a novel [C,N] or [C,C] cyclometalated CpIr complex in aqueous solution von Zhang, Dan-Dan, Chen, Xian-Kai, Liu, Hui-Ling, Huang, Xu-Ri

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Understanding the Effects of Bidentate Directing Groups: A Unified Rationale for sp2 and sp3 C–H Bond Activations von Tang, Hao, Huang, Xu-Ri, Yao, Jiannian, Chen, Hui

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Study of Low-Permeability Sandstone by Unidirectional Mercury Intrusion Porosimetry von Hao-ran, Luo, Xu-ri, Huang, cheng, Yin, Zheng-wu, Tao

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Origins of Selective C(sp2)–H Activation Using Transition Metal Complexes with N,N-Bidentate Directing Groups: A Combined Theoretical–Experimental Study von Tang, Hao, Zhou, Bingwei, Huang, Xu-Ri, Wang, Congyang, Yao, Jiannian, Chen, Hui

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A Theoretical Study on the Reactivity and Charge Effect of PtRu Clusters toward Methanol Activation von ZHAO, Jun-Feng, SUN, Xiao-Li, HUANG, Xu-Ri, LI, Ji-Lai

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Comparison of the FeO2+ and FeS2+ complexes in the cyanide and isocyanide ligand environment for methane hydroxylation von Tang, Hao, Li, Zhuo, Yang, Yu-Hong, Zhao, Ying, Wan, Su-Qin, Liu, Hui-Ling, Huang, Xu-Ri

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Theoretical Study of Methanol C―H and O―H Bond Activation by PtRu Clusters von Jun-Feng, ZHAO, Xiao-Li, SUN, Ji-Lai, LI, Xu-Ri, HUANG

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DFT Study on Mechanism of N‑Alkylation of Amino Derivatives with Primary Alcohols Catalyzed by Copper(II) Acetate von Zhao, Guo-ming, Liu, Hui-ling, Zhang, Dan-dan, Huang, Xu-ri, Yang, Xue

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