Wen Shi ,  Jiuxing Jiang . 化学中的数学方法课程建设探索. University Chemistry, 2025, 40(6): 48-53. doi: 10.12461/PKU.DXHX202408088

Hongting Yan ,  Aili Feng ,  Rongxiu Zhu ,  Lei Liu ,  Dongju Zhang . Reexamination of the Iodine-Catalyzed Chlorination Reaction of Chlorobenzene Using Computational Chemistry Methods. University Chemistry, 2025, 40(3): 16-22. doi: 10.12461/PKU.DXHX202403010

Yu'ang Liu ,  Yuechao Wu ,  Junyu Huang ,  Tao Wang ,  Xiaohong Liu ,  Tianying Yan . Computation of Absolute Electrode Potential of Standard Hydrogen Electrode Using Ab Initio Method. University Chemistry, 2025, 40(3): 215-222. doi: 10.12461/PKU.DXHX202407112

Hua Hou ,  Baoshan Wang . Course Ideology and Politics Education in Theoretical and Computational Chemistry. University Chemistry, 2024, 39(2): 307-313. doi: 10.3866/PKU.DXHX202309045

Yuyang Zhang ,  Yuqing Zhang ,  Quanxing Mao ,  Zixuan Chen ,  Ying Xiong . Application of Real-World Problem-Oriented Teaching Methods in Analytical Chemistry Course. University Chemistry, 2025, 40(10): 17-22. doi: 10.12461/PKU.DXHX202411072

Xingyuan Lu ,  Yutao Yao ,  Junjing Gu ,  Peifeng Su . Energy Decomposition Analysis and Its Application in the Many-Body Effect of Water Clusters. University Chemistry, 2025, 40(3): 100-107. doi: 10.12461/PKU.DXHX202405074

Ling Li ,  Guocheng Wang . 知识图谱与AI助教在无机化学混合式教学中的初步探索——以“沉淀溶解平衡”的教学为例. University Chemistry, 2025, 40(6): 1-8. doi: 10.12461/PKU.DXHX202407063

Heng Zhang . Determination of All Rate Constants in the Enzyme Catalyzed Reactions Based on Michaelis-Menten Mechanism. University Chemistry, 2024, 39(4): 395-400. doi: 10.3866/PKU.DXHX202310047

Jingfeng Lan ,  Li Wu ,  Guangnong Lu ,  Liu Yang ,  Xiaolong Li ,  Xiangyang Xu ,  Yongwen Shen ,  E Yu . Application of 3E Method in the Negative List Management System in Teaching Laboratory. University Chemistry, 2024, 39(4): 54-61. doi: 10.3866/PKU.DXHX202310130

Chengyi Xiao ,  Xiaoli Sun ,  Chen Zhang ,  Weiwei Li . An In-Depth Analysis of the Scientific Connotations, Testing Methods, and Applications of Free Volume in Polymer Physics. University Chemistry, 2025, 40(4): 33-45. doi: 10.12461/PKU.DXHX202403069

Lei Wang , Panpan Zhang , Zhiyuan Guo , Jing Wang , Jie Ma , Zhi-yong Ji . Electrochemical lithium extraction by the faradaic materials: advances, challenges and enhancement approaches. Acta Physico-Chimica Sinica, 2026, 42(1): 100127-0. doi: 10.1016/j.actphy.2025.100127

Ji-Quan Liu ,  Huilin Guo ,  Ying Yang ,  Xiaohui Guo . Calculation and Discussion of Electrode Potentials in Redox Reactions of Water. University Chemistry, 2024, 39(8): 351-358. doi: 10.3866/PKU.DXHX202401031

Yanan Jiang ,  Yuchen Ma . Brief Discussion on the Electronic Exchange Interaction in Quantum Chemistry Computations. University Chemistry, 2025, 40(3): 10-15. doi: 10.12461/PKU.DXHX202402058

Kaifu Zhang ,  Shan Gao ,  Bin Yang . Application of Theoretical Calculation with Fun Practice in Raman Spectroscopy Experimental Teaching. University Chemistry, 2025, 40(3): 62-67. doi: 10.12461/PKU.DXHX202404045

Hong Wu ,  Yuxi Wang ,  Hongyan Feng ,  Xiaokui Wang ,  Bangkun Jin ,  Xuan Lei ,  Qianghua Wu ,  Hongchun Li . Application of Computational Chemistry in the Determination of Magnetic Susceptibility of Metal Complexes. University Chemistry, 2025, 40(3): 116-123. doi: 10.12461/PKU.DXHX202405141

Xu Li ,  Qinglan Li ,  Qingji Wang . Research and Practice of Computational Chemistry in Inorganic Chemistry Education. University Chemistry, 2025, 40(7): 345-351. doi: 10.12461/PKU.DXHX202408114

Xuefei Zhao ,  Xuhong Hu ,  Zhenhua Jia . 理论与计算化学在傅-克烷基化反应教学中的应用. University Chemistry, 2025, 40(8): 360-367. doi: 10.12461/PKU.DXHX202410008

Qun Jing ,  Xiuhua Cui ,  Xu Ji ,  Yi Jiang . Application of Research Case-Based Teaching Method in the Computational Materials Science Course. University Chemistry, 2025, 40(11): 175-183. doi: 10.12461/PKU.DXHX202505050

Xiaowu Zhang ,  Pai Liu ,  Qishen Huang ,  Shufeng Pang ,  Zhiming Gao ,  Yunhong Zhang . Acid-Base Dissociation Equilibrium in Multiphase System: Effect of Gas. University Chemistry, 2024, 39(4): 387-394. doi: 10.3866/PKU.DXHX202310021

Wenkai Chen ,  Yunjia Shen ,  Xiangmeng Kong ,  Yanli Zeng . Quantum Chemistry Calculation of Key Physical Quantity in Circularly Polarized Luminescence: Introducing an Exploratory Computational Chemistry Experiment. University Chemistry, 2025, 40(3): 83-91. doi: 10.12461/PKU.DXHX202405018