Jing Du ,  Xi Yu ,  Xiaofei Ma ,  Wentao Zhao . Artificial Intelligence & Chemistry Course Construction. University Chemistry, 2024, 39(11): 65-71. doi: 10.12461/PKU.DXHX202403072

Jiaqi Chen ,  Chunhui Luan ,  Yue Sun ,  Qiyun Ma ,  Wangfei Hao ,  Yanjia Wang ,  Xu Wu . Understanding the Dynamics of Heat and Cold through Chemistry: The Interplay of Chemical Energy and Thermal Energy. University Chemistry, 2024, 39(9): 214-223. doi: 10.12461/PKU.DXHX202312020

Jizhu Zhou ,  Xiao Wei ,  Kaixue Wang . Deep Integration of Artificial Intelligence and Chemical Research: Applying the Fourth Paradigm and Evolving the Role of Chemists. University Chemistry, 2025, 40(12): 119-125. doi: 10.12461/PKU.DXHX202509003

Jinghan Xu ,  Yang Wang ,  Donghui Wei . Drawing Cross-Sectional Contour Maps of π Molecular Orbitals. University Chemistry, 2025, 40(3): 23-29. doi: 10.12461/PKU.DXHX202403023

Yiying Yang ,  Rongxiu Zhu ,  Yuchen Ma ,  Dongju Zhang . MATLAB-based Visualization of Hydrogen-Like Orbitals and Analysis of Relavant Teaching Problems. University Chemistry, 2025, 40(9): 375-382. doi: 10.12461/PKU.DXHX202411015

Xian-Wei Lv , Xinyuan Ding , Jiaxing Gong , Xuhuan Yan , Dayong Huang , Jianxin Geng , Zhong-Yong Yuan . Research progress on orbital hybridization in photocatalysis and electrocatalysis. Acta Physico-Chimica Sinica, 2026, 42(2): 100151-0. doi: 10.1016/j.actphy.2025.100151

Ping Che ,  Mingwen Wang . Exploration of Hybrid Orbital Theory Teaching Based on the “FiveQuestion” Model. University Chemistry, 2026, 41(2): 119-122. doi: 10.12461/PKU.DXHX202503063

Jiaxun Wu ,  Mingde Li ,  Li Dang . The R eaction of Metal Selenium Complexes with Olefins as a Tutorial Case Study for Analyzing Molecular Orbital Interaction Modes. University Chemistry, 2025, 40(3): 108-115. doi: 10.12461/PKU.DXHX202405098

Laiying Zhang ,  Yinghuan Wu ,  Yazi Yu ,  Yecheng Xu ,  Haojie Zhang ,  Weitai Wu . Innovation and Practice of Polymer Chemistry Experiment Teaching for Non-Polymer Major Students of Chemistry: Taking the Synthesis, Solution Property, Optical Performance and Application of Thermo-Sensitive Polymers as an Example. University Chemistry, 2024, 39(4): 213-220. doi: 10.3866/PKU.DXHX202310126

Xiaofang Li , Zhigang Wang . 调节金助催化剂的d_z²占据轨道增强光催化合成H₂O₂. Acta Physico-Chimica Sinica, 2025, 41(7): 100080-0. doi: 10.1016/j.actphy.2025.100080

Ruyan Liu , Zhenrui Ni , Olim Ruzimuradov , Khayit Turayev , Tao Liu , Luo Yu , Panyong Kuang . Ni-induced modulation of Pt 5d-H 1s antibonding orbitals for enhanced hydrogen evolution and urea oxidation. Acta Physico-Chimica Sinica, 2025, 41(12): 100159-0. doi: 10.1016/j.actphy.2025.100159

Jiying Liu ,  Zehua Li ,  Wenjing Zhang ,  Donghui Wei . Molecular Orbital and Nucleus-Independent Chemical Shift Calculations for C₆H₆ and B₁₂H₁₂^2-: A Computational Chemistry Experiment. University Chemistry, 2025, 40(3): 186-192. doi: 10.12461/PKU.DXHX202406085