Search Results

• Semi-Empirical and HOMO, LUMO Studies of Some Chlorinated Pesticides Compounds

  Mamoun S.M. Abd El-Kareem, M.A. Rabbih, E.T.M. Selim

  2025-06-19

  3555 486 Pages:1-12

• Sodium Electron Solvation and Reactivity at Water Surface

  Hui Dong, Yuxiang Bu

  2025-03-05

  7486 540 Pages:13-23 Open-access

• Adsorption of Some Pteridine-Based Compounds on Fe (110) Surface and Potential for Corrosion Inhibition: Quantum Computations Molecular Dynamics Simulations

  Ekemini Ituen, Godstime Chuwkudike, Ubong Essien, Bright Daniel, Prince Micheal, Adebola Oyeniran, Muhammad Oshafu, Aduanya David, Udoinyang Inyang

  2025-12-08

  1641 126 Pages:361-371

• Insights into the Stability and Photophysical Properties of Expanded Porphyrins Through Theoretical Calculation

  Wei Wei, Zeng-Xia Zhao, Xiao-Li Sun, Xi Chen, Bin Hu, Wei Li

  2025-09-03

  2759 440 Pages:202-208

• 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

  28056 2080 Pages:121-136

• Effects of Functional Group Position on Hole Transporting Properties of Carbazole Derivatives in Perovskite Solar Cells

  Jianyu Cui, Wei Rao, Rongxing He

  2022-05-18

  31930 2149 Pages:96-109