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    Measuring Reaction Rates for Heterogeneous Catalysis
    Jiamei Quan, Alec M. Wodtke
    2025, 38(6): 729-749. DOI: 10.1063/1674-0068/cjcp2509146
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    High-resolution Photoelectron Spectroscopy of Cryogenically Cooled TiO2CH3OH: An Investigation of Methanol Splitting by TiO2−/0
    Korina Vlahos, Martin DeWitt, Daniel M. Neumark
    2025, 38(6): 750-760. DOI: 10.1063/1674-0068/cjcp2510163
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    Investigation of the Electronic Structure of PB and AsB using High Resolution Photoelectron Imaging of Cold PB and AsB Anions
    Han-Wen Gao, Jie Hui, Xin-Yu Zhang, Lai-Sheng Wang
    2025, 38(6): 761-768. DOI: 10.1063/1674-0068/cjcp2502014
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    Photodissociation Dynamics of D2S+ near 340 nm
    Wenxin Wang, Chang Luo, Yuxin Tan, Yaling Wang, Ning Zhang, Liru Hu, Zhiwen Luan, Daofu Yuan, Xingan Wang, Xueming Yang
    2025, 38(6): 769-776. DOI: 10.1063/1674-0068/cjcp2501002
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    Characterizing S(1D) Atoms Formed by Exciting D2S Molecules via Intense Rydberg Resonances at Wavelengths ~139.1 nm and ~129.1 nm
    Zijie Luo, Shunyang Zhou, Yucheng Wu, Shuaikang Yang, Zhenxing Li, Yongxin Dong, Wei Hua, Quan Shuai, Li Che, Michael N. R. Ashfold, Kaijun Yuan, Xueming Yang
    2025, 38(6): 777-787. DOI: 10.1063/1674-0068/cjcp2508115
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    REST: Embracing the Rust Programming Language for Modern Electronic Structure Theory
    Zhiyun Li, Tianyi Gao, Shirong Wang, Sheng Bi, Rulin Feng, Zhenyu Zhu, Yilin Zhao, Wenjie Yan, Lingyue Yu, Qirui Gao, Zihan Lin, Jianming Wu, Igor Ying Zhang, Xin Xu
    2025, 38(6): 788-796. DOI: 10.1063/1674-0068/cjcp2510156
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    REANN 2.0: An Efficient Package of Neural Network Potentials for Multi-Element Systems
    Yixi Zhang, Junfan Xia, Yaolong Zhang, Bin Jiang
    2025, 38(6): 797-806. DOI: 10.1063/1674-0068/cjcp2508126
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    Structural Parameters of Branched Polymers: Incorporation of Kinetic Monte Carlo Simulation with Adjacency Matrix
    Xin-Xin Zhao, Jiang-Tao Li, Fang Gu, Hai-Jun Wang
    2025, 38(6): 807-818. DOI: 10.1063/1674-0068/cjcp2509129
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    Fermionic Influence Superoperator for Transport through Majorana Zero Modes
    Jia-Lin Pan, Zi-Fan Zhu, Shixuan Chen, Yu Su, Yao Wang
    2025, 38(6): 819-832. DOI: 10.1063/1674-0068/cjcp2509147
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    Mixed Quantum–Classical Approaches to Electron Transmission through Chiral Molecules
    Jiayue Han, Yu Wang, Wenjie Dou
    2025, 38(6): 833-844. DOI: 10.1063/1674-0068/cjcp2509149
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    Extension of Integral of First Passage Times Towards Multi-Point Polymer Adsorption
    Yifan Huang, Qiyun Tang
    2025, 38(6): 845-854. DOI: 10.1063/1674-0068/cjcp2510158
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    Robust, High-Magnetic-Field-Resistance Design of Scanning Head Equipped with 12 T Superconductor Magnet and sub-Kelvin He-3 Cryostat
    Junwei Liu, Kesen Zhao, Aile Wang, Min Zhang, Jihao Wang, Yubin Hou, Wenjie Meng, Qingyou Lu
    2025, 38(6): 855-864. DOI: 10.1063/1674-0068/cjcp2405077
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    Conformational Analysis and Vibrational Spectroscopy of Neutral and Cationic Monoethanolamine
    Ende Huang, Siyue Liu, Xiaohu Zhou, Licheng Zhong, Ransheng Wang, Jingning Xue, Hongwei Li, Wenrui Dong, Xueming Yang
    2025, 38(6): 865-874. DOI: 10.1063/1674-0068/cjcp2409124
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    Theoretical Study of Energy Transfer between CO and CO2 Based on Full-Dimensional Potential Energy Surface
    Yuquan Feng, Yihuang Jiang, Zhengyan Jiang, Jun Chen
    2025, 38(6): 875-883. DOI: 10.1063/1674-0068/cjcp2409121
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    A Catalytic System for Preparation of Diazomethylenephosphoranes R3P=C=N2 from Mixed Phosphonium–Sulfonium Bisylide R3P=C=SPh2 and N2
    Xiao-Yong Yang
    2025, 38(6): 884-892. DOI: 10.1063/1674-0068/cjcp2407088
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    Theoretical Studies on Stability of Oxygen-Evolving Center Model Complex Mn4CaO4 in Oxidative Condition
    Zheng Sun, Hongjun Fan
    2025, 38(6): 893-906. DOI: 10.1063/1674-0068/cjcp2403034
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    Nitrate Reduction Reaction on Single-atom Catalysts Supported on 3N-coordinated Nitrogen-doped Graphene
    Haideng Shi, Yanan Zhou, Wenhua Zhang
    2025, 38(6): 907-916. DOI: 10.1063/1674-0068/cjcp2405069
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    First-Principles Study of P2-Type NaxNiO2 and NaxNi0.75M0.25O2 (M = Fe, Cu, Mn) Cathode Materials for Sodium-Ion Battery
    Xiaoyue He, Genqiang Zhang
    2025, 38(6): 917-925. DOI: 10.1063/1674-0068/cjcp2403031
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    Preparation and Electrochemical Performance of N-doped Carbon Nanospheres Supported Multiple Transition Metal Sulfides Electrocatalyst
    Shuo Yan, Zhiqing Ge, Xiangyu Shen, Baoying Zhang, Shouqun Zhang, Mozhen Wang, Xuewu Ge
    2025, 38(6): 926-938. DOI: 10.1063/1674-0068/cjcp2403038
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    Ru/Ir on Fe2O3 as an Efficient Catalyst for Preferential Oxidation of CO towards Hydrogen Purification
    Cichang Zong, Yang Yang, Jiahe Yang, Hongda Shi, Pin Meng, Dongdong Wang, Lin Hu, Hui Wang, Qianwang Chen
    2025, 38(6): 939-946. DOI: 10.1063/1674-0068/cjcp2403042
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    Novel δ-MnO2/MXene Heterostructures as Cathode Materials for Zinc-Ion Hybrid Supercapacitors
    Shaolin Yang, Cheng Zhen, Panpan Fu, Fangfang Li, Zexi Chen, Jiandong Wu, Hui Lu, Chunping Hou
    2025, 38(6): 947-960. DOI: 10.1063/1674-0068/cjcp2408108
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    Hydrogenation of Levulinic Acid over Biomass-based Ru/NC Catalyst
    Zhu Zhu, Guangyue Xu
    2025, 38(6): 961-968. DOI: 10.1063/1674-0068/cjcp2403039
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    A Green and Recyclable Catalytic Pretreatment Strategy for Enhancing Synthesis of Biofuel
    Yuming Ni, Rui Zhang, Can Zhu, Yu Jiang, Quanxin Li
    2025, 38(6): 969-978. DOI: 10.1063/1674-0068/cjcp2501006
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    Reusable Shape-Memory Amorphous Structure Color Photonic Paper for Press Printing
    Yu Miao, Meixing Ai, Mingshuo Tang, Zhiwei He, Zhihao Wang, Yunlong Wang
    2025, 38(6): 979-986. DOI: 10.1063/1674-0068/cjcp2405072
    Abstract FullText HTML PDF