Search Results - Igor Ying Zhang

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  1. 1

    Coupled Cluster Theory in Materials Science by Igor Ying Zhang, Andreas Grüneis

    Published in Frontiers in Materials (2019-06-01)
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  2. 2

    A cross-entropy corrected hybrid multiconfiguration pair-density functional theory for complex molecular systems by Rulin Feng, Igor Ying Zhang, Xin Xu

    Published in Nature Communications (2025-01-01)
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  3. 3

    Wave-function inspired density functional applied to the H2/ challenge by Igor Ying Zhang, Patrick Rinke, Matthias Scheffler

    Published in New Journal of Physics (2016-01-01)
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  4. 4

    Unraveling the Catalytic Mechanism and Substrate Selectivity of HDAC10: A Dual-Filter Approach for Polyamine Deacetylation by Shengyang Cai, Jingwei Weng, Igor Ying Zhang, Yichun Zhu

    Published in JACS Au (2025-09-01)
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  5. 5

    Utilization of Fe-Ethylenediamine-N,N′-Disuccinic Acid Complex for Electrochemical Co-Catalytic Activation of Peroxymonosulfate under Neutral Initial pH Conditions by Bolin Zhang, Yu Chen, Yongjian Wang, Igor Ying Zhang, Rongfu Huang

    Published in Molecules (2023-08-01)
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  6. 6

    Numeric atom-centered-orbital basis sets with valence-correlation consistency from H to Ar by Igor Ying Zhang, Xinguo Ren, Patrick Rinke, Volker Blum, Matthias Scheffler

    Published in New Journal of Physics (2013-01-01)
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  7. 7

    Toward Efficient and Unified Treatment of Static and Dynamic Correlations in Generalized Kohn–Sham Density Functional Theory by Yizhen Wang, Zihan Lin, Runhai Ouyang, Bin Jiang, Igor Ying Zhang, Xin Xu

    Published in JACS Au (2024-08-01)
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  8. 8

    Effective Degradation of Metronidazole through Electrochemical Activation of Peroxymonosulfate: Mechanistic Insights and Implications by Haicen Liao, Jingkai Fang, Jiahao Wang, Xianhu Long, Igor Ying Zhang, Rongfu Huang

    Published in Energies (2024-04-01)
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  9. 9

    Main-group test set for materials science and engineering with user-friendly graphical tools for error analysis: systematic benchmark of the numerical and intrinsic errors in state... by Igor Ying Zhang, Andrew J Logsdail, Xinguo Ren, Sergey V Levchenko, Luca Ghiringhelli, Matthias Scheffler

    Published in New Journal of Physics (2019-01-01)
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  10. 10

    Efficient Removal of Sulfamethoxazole in Electro-Oxidation System with Boron-Doped Diamond Anode and Electrolyte NaCl: Degradation Mechanisms by Xinghui Du, Wenxi Xie, Xianhu Long, Dazhen Li, Weixiong Huang, Igor Ying Zhang, Rongfu Huang

    Published in Molecules (2025-02-01)
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  11. 11

    Accurate localized resolution of identity approach for linear-scaling hybrid density functionals and for many-body perturbation theory by Arvid Conrad Ihrig, Jürgen Wieferink, Igor Ying Zhang, Matti Ropo, Xinguo Ren, Patrick Rinke, Matthias Scheffler, Volker Blum

    Published in New Journal of Physics (2015-01-01)
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  12. 12

    Hydrogen sulfide functions as a micro-modulator bound at the copper active site of Cu/Zn-SOD to regulate the catalytic activity of the enzyme by Dong-Dong Wu, Sheng Jin, Ruo-Xiao Cheng, Wen-Jie Cai, Wen-Long Xue, Qing-Qing Zhang, Le-Jie Yang, Qi Zhu, Meng-Yao Li, Ge Lin, Yi-Zhen Wang, Xue-Pan Mu, Yu Wang, Igor Ying Zhang, Qi Zhang, Ying Chen, Sheng-Yang Cai, Bo Tan, Ye Li, Yun-Qian Chen, Pu-Juan Zhang, Chen Sun, Yue Yin, Ming-Jie Wang, Yi-Zhun Zhu, Bei-Bei Tao, Jia-Hai Zhou, Wei-Xue Huang, Yi-Chun Zhu

    Published in Cell Reports (2023-07-01)
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