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  • Therapeutic Potential and Mechanistic Insights of Sunflower Receptacles’ Essential Oil Against Gout: An In-Depth Molecular Study

    Kaiyu Wang, Xue Bai, Hengzheng Yang, Kaifeng Liu, Lu Han, Wannan Li, Weiwei Han
    2025-09-05
    244 133 Pages:1-12 Open-access
  • DFT Study on the Mechanism of Water Oxidation Catalyzed by a Mononuclear Copper Complex

    Zhi-Bo Yang, Xin Lu, Miao-Miao Li, Han-Xiao Guo, Si-Xiang Chen
    2025-06-13
    303 144 Pages:145-151 Open-access
  • Molecular Insight into Energy Loss in Organic Solar Cells

    Guangchao Han, Yuanping Yi
    2025-06-13
    324 203 Pages:127-133 Open-access
  • A Theoretical Investigation of the Adsorption Activity of DNL-6 by DFT Method

    Dan Zhao, Pei Feng, Keli Han & Xiaofang Chen
    2018-08-15
    36915 3445 Pages:11-17
  • Quasiclassical Trajectory Calculations of the Photodissociation of CH3CHO: The HCCH + H2O Product Channel

    Yong-Chang Han & Shu-Lin Cong
    2013-01-01
    29469 2116 Pages:171-180
  • Efficient Implementation of Time-Dependent Density Functional-Based Tight-Bind Method on Multi-Core and GPU System

    Guo-Hong Fan & Ke-Li Han
    2013-01-01
    29648 2165 Pages:124-131
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