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• Sodium Electron Solvation and Reactivity at Water Surface

  Hui Dong, Yuxiang Bu

  2025-03-05

  7689 670 Pages:13-23 Open-access

• Photoinduced Symmetry-Breaking Charge Separation Dynamics of Perylene Diimide Dimers: A Nonadiabatic Dynamics Simulation

  Siyu Xiong, Meijie Jiang, Gaoyi Li, Xiangyang Liu

  2026-03-13

  466 154 Pages:83–96

  

• Electron Transfer Pathways in the Z-Schematic Donor-Donor-Acceptor Organic Solar Cells

  Weiwei Zhang, Xing Chen, WanZhen Liang & Yi Zhao

  2013-01-01

  29573 2276 Pages:132-144

• 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, Rong-Zhen Liao, Ying-Ying Li

  2025-06-13

  5199 676 Pages:145-151 Open-access

• The Quantum Compass Mechanism in Cryptochromes

  Chengye Zou, Ya-jun Liu, Beibei Wang

  2025-10-21

  5107 1413 Pages:311-324

  

• Computational Mechanistic Insights into Non-Cubane Iron-Sulfur Cluster-Dependent Enzymes with [2Fe–2S] and [4Fe–4S] Cores: A Review

  Zehan Ma, Shilu Chen

  2025-09-03

  3001 631 Pages:249-263

  

• A Theoretical Research on the Impact of Pyridine Based and Fused Cyclic Based Polymer on the Properties of Donor Polymer for Organic Solar Cells

  Yalin Ran, Xian Peng, Xiaoqin Tang, Xiaorui Liu, Wei Shen, Rongxing He & Ming Li

  2022-05-18

  28160 2112 Pages:121-136

• The Study of Singlet Biradical Character of the Benzene-Linked Bisphenalenyl Molecule and the Anthracene-Linked Bisphenalenyl Molecule

  Jing Liu, Peng Song, Yong Ding, Shunhuai Yao & Fengcai Ma

  2013-01-01

  25809 1875 Pages:297-306

• Role of Excited States in Asymmetric Harmonic Emission

  Liqiang Feng, Tianshu Chu

  2013-02-06

  46701 3032 Pages:52-62