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      PyMEDA: A Unified Python Framework for Multiscale Energy Decomposition Analysis†
      Xuewei Xiong, Xingyuan Lu, Yueyang Zhang, Zijing Wu, Fuming Ying, Wei Wu, Peifeng Su
      DOI: 10.1063/1674-0068/cjcp2510168
      Abstract FullText HTML PDF
      Retraction: “Role of Polaron Spin State in Chirality-Induced Spin Selectivity”
      Abstract FullText HTML PDF
      Surface Au Doping Enhances Activity and Stability of PtCo Alloy for Oxygen Reduction Reaction: Insights from In Situ Characterization
      Huijuan Zhang, Yuanhua Sun, Longfei Hu, Zhaochun Cao, Sicheng Li, Wei Zhang, Linlin Cao, Tao Yao
      DOI: 10.1063/1674-0068/cjcp2509143
      Abstract FullText HTML PDF
      Ru/TiO2 Catalyst Modified by Phosphate Anion: Realizing Specific Transformation of CO2 Hydrogenation Products
      Jin Zhang, Yuefeng Lu, Ruiyi Wang, Xincheng Li, Dingkai Wang, Meiling Liu, Yunwei Wang, Zhanfeng Zheng
      DOI: 10.1063/1674-0068/cjcp2509132
      Abstract FullText HTML PDF
      Investigation of Effects and Mechanisms of Biochar on Long-term Residual Action of Avermectin
      Hong-Chao Hao, Yu-Long Peng, Se-Wei Fu, Hui-Jun Lu, Jing Chen, Hong Jiang
      DOI: 10.1063/1674-0068/cjcp2508117
      Abstract FullText HTML PDF
      Thermally Driven Plasmonic Coupling of DNA-Bonded Silver Nanodimers in Dispersion
      Tong Xia, Wu Xu, Ziyue Guo, Lei Song, Meiyun Ye, Zhaoxiang Deng
      DOI: 10.1063/1674-0068/cjcp2510157
      Abstract FullText HTML PDF
      Dielectric Properties of Water at Lipid Interfaces
      Chunqiao Zhou, Shunran Zhang, Mingen Zhang, Tianqi Wang, Junquan Zhu, Lirong Nie
      DOI: 10.1063/1674-0068/cjcp2508118
      Abstract FullText HTML PDF
      Selective Synthesis of Bio-based Benzaldehyde Using Magnetic CoFe2O4@Biochar(HTR) Catalyst†
      Wanyun Tang, Yuehui Luo, Can Zhu, Nan Huang, Quanxin Li
      DOI: 10.1063/1674-0068/cjcp2510165
      Abstract FullText HTML PDF
      Dipole-Encapsulation as a Strategy for the Formation of Helium- and Neon-containing Compounds†
      Corey Evans, Shengfu Yang
      DOI: 10.1063/1674-0068/cjcp2504047
      Abstract FullText HTML PDF
      Extended Dissipaton Theory for Higher-Order Bath Couplings and Application to Non-Condon Spectroscopy with Anharmonicity†
      Zi-Fan Zhu, Yu Su, Yao Wang, Rui-Xue Xu, YiJing Yan
      DOI: 10.1063/1674-0068/cjcp2511171
      Abstract FullText HTML PDF
      Unveiling a $ \sqrt{2}\mathit{ }\times\sqrt{2}\mathit{ } $ Superstructure in Optimally Doped Bismuth-based Cuprates with Non-contact Atomic Force Microscopy
      Humaira Akber, Yuan Zheng, Huan Shan, Yahui Mao, Yin Yi, Aidi Zhao
      DOI: 10.1063/1674-0068/cjcp2509130
      Abstract FullText HTML PDF
      A Cost-Effective Approach to Precisely Estimate Singlet−Triplet Energy Gaps in MR-TADF Molecules: Combining Delta Self-Consistent Field and Time-Dependent Density Functional Theory Methods†
      Qian Jin, Dong Wang
      DOI: 10.1063/1674-0068/cjcp2509133
      Abstract FullText HTML PDF
      Passivation with Ion Polarization for Perovskite Solar Cells
      Shengfeng Xiong, Rongzhi Zhu, Hui Cao, Chaozhi Zhang
      DOI: 10.1063/1674-0068/cjcp2509140
      Abstract FullText HTML PDF
      HCN Synthesis from Methane and Nitrogen Assisted by Magnetron Sputtering
      Zhao Li, Qing-yu Liu, Jun-hao Luo, Fu-rong Wang, Tong-mei Ma
      DOI: 10.1063/1674-0068/cjcp2508112
      Abstract FullText HTML PDF
      Donor-Acceptor Engineering in Ca-doped NiOOH as a Stable Electrocatalyst for Urea Oxidation Reaction
      Naiyuan Duan, Tianxin Hou, Tiezhu Liu, Runlong Yang, Dongdong Wang, Yang Yang, Qianwang Chen
      DOI: 10.1063/1674-0068/cjcp2508111
      Abstract FullText HTML PDF
      Diol-based Deep Eutectic Solvent for Cellulose Hydrogels from Corncob as Solid Electrolytes for Zinc-Ion Hybrid Supercapacitors†
      Yi Duan, Lifeng Yan
      DOI: 10.1063/1674-0068/cjcp2508122
      Abstract FullText HTML PDF
      Probing Vibronic Coupling in Molecular Oligomers with 1−0 Resonance Tip-Enhanced Raman Spectroscopy
      Rui Zhu, Yi-Hao Zhang, Yu-Fan Zhang, Jie Cui, Hang Li, Xian-Biao Zhang, Ben Yang, Gong Chen, Yao Zhang, Zhen-Chao Dong, Yang Zhang
      DOI: 10.1063/1674-0068/cjcp2507102
      Abstract FullText HTML PDF
      Kinetics of CH2OO Reactions with Fluorinated Compounds: Temperature-Dependent Study of CF3CH=CHCF3 and Upper Limit Determination for SF6
      Jingning Xue, Haotian Jiang, Yue Liu, Miaoqing Li, Hongwei Li, Li Che, Wenrui Dong, Xueming Yang
      DOI: 10.1063/1674-0068/cjcp2509131
      Abstract FullText HTML PDF
      Isotope Effects in Two-Body Photodissociation Channels of CHD3 at 118 nm
      Pengcheng Wang, Qiaosong Lin, Chunlei Xiao, Xueming Yang, Kopin Liu, Huilin Pan
      DOI: 10.1063/1674-0068/cjcp2508120
      Abstract FullText HTML PDF
      Anisotropic Diffusion of an Isolated Hard Ellipse in a 2D Hard-Disk Bath
      Luwei Lu, Liang Wang, Ruishu Wang, Zhenhua Wang, Yuyuan Lu, Lijia An
      DOI: 10.1063/1674-0068/cjcp2508113
      Abstract FullText HTML PDF
      A Compact Apparatus for Gas-Phase Low-Temperature Kinetics Study Based on de Laval Nozzle
      Feiyue Zhou, Jiale Zhang, Changmao Li, Wenrui Dong, Xueming Yang, Hongwei Li
      DOI: 10.1063/1674-0068/cjcp2507093
      Abstract FullText HTML PDF
      Statistical and Molecular Perspectives on Foam Stability: Structure-Property Relationships of Trimethylammonium Bromide at Interfaces
      Qian Zhang, Hang Su, Zhangzhong Yuan, Zhen Li, Hui Zeng, Wenyue Guo, Hao Ren
      DOI: 10.1063/1674-0068/cjcp2508108
      Abstract FullText HTML PDF
      Coupling of a High-Temperature Ion Trap Reactor with an Electron -Spray-Ionization Source for Reactions of Mass-Selected Organometallic Ions†
      An Zhao, Qing-Yu Liu, Zhong-Pu Zhao, Zi-Yu Li, Sheng-Gui He
      DOI: 10.1063/1674-0068/cjcp2507097
      Abstract FullText HTML PDF
      RAKAN: An Efficient Residual-Connected Graph Neural Network for Predicting Molecular Potential Energy Based on Attention Mechanism and Kolmogorov-Arnold
      Yanchun Yang, Zhengxing Huang, Ruijie Li, Qihui Rao, Jianchen Liu
      DOI: 10.1063/1674-0068/cjcp2505076
      Abstract FullText HTML PDF
      Unveiling Salt-dependent Conformation Changes and Kinetics of Interfacial MicroRNA Let-7c Molecules using SFG-VS
      Haoyu Xiao, Yulu Du, Chao Zhu, Dongqi Liu, Jiawei Zhang, Wenhui Li, Wangting Lu, HongJuan Zhang, Feng Wei
      DOI: 10.1063/1674-0068/cjcp2504052
      Abstract FullText HTML PDF
      Stability of Atropisomers in Medium-Sized Ring: DFT Insights of Dibenzolactam Chirality
      Yuhao Chen, Hui Zhang, Musen Li, Yongle Li
      DOI: 10.1063/1674-0068/cjcp2506078
      Abstract FullText HTML PDF
      Integrating Multiple Time Step Method and Implicit Solvent Model for Molecular Dynamics Simulations of Proteins
      Zihan He, Bo-Wen Yin, Bin-Bin Xie, Lin Shen, Wei-Hai Fang
      DOI: 10.1063/1674-0068/cjcp2505069
      Abstract FullText HTML PDF
      Cesium- and Chlorine-Doped MAPbI3 Perovskites under Open-Air Conditions for Efficient and Stable Photovoltaic Devices
      Jia Sun, Yewei Zhang, Yinsheng Gu, Yang Yang, Chang Liu, Jiwen Jiang, Kuanxiang Zhang, Yingwei Lu, Paifeng Luo
      DOI: 10.1063/1674-0068/cjcp2505057
      Abstract FullText HTML PDF
      CO Adsorption Behavior on Au/TiO2 and Associated Size Effects Under the Influence of Ni Contamination
      Qian Wen, Guangyuan Xu, Mengyi Ci, Jiabao Gao, Zhen Zhang
      DOI: 10.1063/1674-0068/cjcp2505055
      Abstract FullText HTML PDF
      Phase Transition of Fe-Co Alloy under Magnetic Field with Machine Learning Force Field
      Shuaibin Li, Musen Li, Yongle Li
      DOI: 10.1063/1674-0068/cjcp2505066
      Abstract FullText HTML PDF
      Unraveling Nonradiative Effects and Reaction Mechanism of Aza-Paternò-Büchi Reaction Catalyzed by a Cu(I) Complex
      Xin-Xin Liu, Jia-Jia Ma, Ling-Ya Peng, Qiu Fang, Ganglong Cui
      DOI: 10.1063/1674-0068/cjcp2505073
      Abstract FullText HTML PDF
      Role of Polaron Spin State in Chirality-Induced Spin Selectivity
      Soumyajit Sarkar
      DOI: 10.1063/1674-0068/cjcp2505060
      Abstract FullText HTML PDF
      Reactions between HOCO+ and H2 Produce Water: a Computational Study†
      Mengqi Zheng, Yaya Zhi, Jie Hu, Shan Xi Tian
      DOI: 10.1063/1674-0068/cjcp2504049
      Abstract FullText HTML PDF
      Tuning Ionic Potential of Metal Fluorides in Solid Polymer Electrolytes for High-Rate Lithium Batteries
      Lingfei Tang, Yifei Liu, Xiaoxuan Liu, Changqi Ma, Qi Chen
      DOI: 10.1063/1674-0068/cjcp2505070
      Abstract FullText HTML PDF
      Frequently Encountered Factors Which Obstruct Evaluation of Intrinsic Kinetics of Hydrogen Electrocatalytic Reaction
      Tao-Qi Zong, Er-Fei Zhen, Dong-Chen Zhao, Jun Cai, Yan-Xia Chen
      DOI: 10.1063/1674-0068/cjcp2503029
      Abstract FullText HTML PDF
      High-Throughput Screening of 2D Dielectric Layers for H-Terminated Diamond Metal-Oxide-Semiconductor Field-Effect Transistors
      Jiabao Wu, Cui Yu, Zhihong Feng, Haifeng Lv, Xingxing Li, Xiaojun Wu
      DOI: 10.1063/1674-0068/cjcp2505058
      Abstract FullText HTML PDF
      Molecular Dynamics Study of OH-Induced Disintegration of Cu/ZnO Catalysts Based on Machine Learning Potentials
      Junju Xue, Jianyu Hu, Jie Luo, Sulei Hu, Wei-Xue Li
      DOI: 10.1063/1674-0068/cjcp2504046
      Abstract FullText HTML PDF
      From Biomass to Chiral Chemicals via Chemocatalysis: Advances and Prospects†
      Shuguang Xu, Shengqi Liao, Jianmei Li, Changwei Hu
      DOI: 10.1063/1674-0068/cjcp2504042
      Abstract FullText HTML PDF
      Rejuvenation and Memory Effects in WCA Systems: A Free-Volume Perspective on Hierarchical Relaxation Dynamics
      Yifan Yang, Yaozhang Yang, Zhenhua Wang, Yuyuan Lu, Lijia An
      DOI: 10.1063/1674-0068/cjcp2503024
      Abstract FullText HTML PDF
      Theoretical Insights into Dual-Site Oxygen Evolution Reaction Mechanism on Co-N-C Single Atom Catalysts
      Yifei Rao, Yanan Zhou, Wenhua Zhang
      DOI: 10.1063/1674-0068/cjcp2504048
      Abstract FullText HTML PDF
      Investigation of Differential Cross Sections for H+HDS(υHS=0,1)→H2+DS Reactions
      Wei Wang, Xin Xu, Chunlei Xiao, Shu Liu, Dong H. Zhang
      DOI: 10.1063/1674-0068/cjcp2503035
      Abstract FullText HTML PDF
      Tuning Mechanism of Optical Bandgap in CsPbBrxCl3−x Single-Crystal Microplatelets via Halide Hybridization
      Fangfang You, Jianping Huang, Yi Yao, Wenhua Zhang, Faqiang Xu
      DOI: 10.1063/1674-0068/cjcp2505063
      Abstract FullText HTML PDF
      Nonlocal Density Descriptor for Machine-Learning-Corrected Density Functional
      Zhiyu Li, Zipeng An, JingChun Wang, Yapeng Zhang, GuanHua Chen, Xiao Zheng
      DOI: 10.1063/1674-0068/cjcp2504050
      Abstract FullText HTML PDF
      Solvent-dependent Photophysical Dynamics of Nitro-substituted Triphenylamine: Insights from Spectroscopies and DFT Calculations
      Xiaoyuan Zhao, Yi Shen, Lewei Bian, Yanrong Jia, Min Xia, Jiadan Xue
      DOI: 10.1063/1674-0068/cjcp2503031
      Abstract FullText HTML PDF
      Enhancing Two-Photon Fluorescence Brightness of NIR-II Molecular Fluorophore by Structural Twisting Strategy
      Yuying Du, Yujin Zhang, Wei Hu
      DOI: 10.1063/1674-0068/cjcp2504041
      Abstract FullText HTML PDF
      Optimized Fabrication and Characterization of W Tips for High-Performance Atomic-Resolution Scanning Tunneling Microscope
      Behnam Esmaeilzadeh, Minghao Chen, Zihao Li, Syed Asad Maqbool, Muhammad Touqeer, Min Zhang, Shiwei Yang, Yubin Hou, Qingyou Lu
      DOI: 10.1063/1674-0068/cjcp2503021
      Abstract FullText HTML PDF
      Machine Learning Driven ReaxFF Optimization for Combustion
      Yueqian Sun, Shuwen Zhang, John Z. H. Zhang, Tong Zhu
      DOI: 10.1063/1674-0068/cjcp2503023
      Abstract FullText HTML PDF
      Role of Chromogenic Aryl Group Orientation in Regioisomeric Oxazine Mechanochromism
      Hao-Hang Huang, Cichang Ling, Bingzheng Wu, Hai Qian, Sai Duan
      DOI: 10.1063/1674-0068/cjcp2504040
      Abstract FullText HTML PDF
      Concentration-Dependent Effects of Magnesium Ions on Thermal Denaturation Kinetics of Hen Egg-White Lysozyme: a Raman Spectroscopic Study
      Jin Yang, Ning Chen, Muhammad Zahid, Yuhui Li, Shilin Liu, Xiaoguo Zhou
      DOI: 10.1063/1674-0068/cjcp2503027
      Abstract FullText HTML PDF
      Boosting Bisphenol A Degradation through Activation of Persulfate by Iron-doped γ-MnO2
      Yucheng Shao, Yuyang Gan, Jinze Xu, Xiyang Zheng, Xiao Ge
      DOI: 10.1063/1674-0068/cjcp2412159
      Abstract FullText HTML PDF
      Potential Energy Surfaces of Hydrogen-bond and Halogen-bond Systems with Diffuse Quantum Monte Carlo Method
      Bingwen Wang, Zhiru Huang, Xiaojun Zhou, Fan Wang
      DOI: 10.1063/1674-0068/cjcp2502016
      Abstract FullText HTML PDF
      Configuration Dynamics of Active Polymer Chain with Actively Driven Regions
      Xinshuang Liu, Xiao Ma, Chuansheng Shen
      DOI: 10.1063/1674-0068/cjcp2502019
      Abstract FullText HTML PDF
      Machine Learning-based Discovery of Metal-Organic Frameworks for Effective Iodine Capture in Nuclear Waste Management
      Wencheng Yao, Yang Liu, Hongfei Sun, Lin Shen, Tao Wen, Yuejie Ai
      DOI: 10.1063/1674-0068/cjcp2502018
      Abstract FullText HTML PDF
      Integrating STM with Cryogen-Free Systems for Enhanced Stability in Harsh Conditions
      Muhammad Touqeer, Syed Asad Maqbool, Behnam Esmaeilzadeh, Min Zhang, Shiwei Yang, Yubin Hou, Qingyou Lu
      DOI: 10.1063/1674-0068/cjcp2501003
      Abstract FullText HTML PDF
      A Novel Raman Spectrometer using Bessel-like Laser Beam for Homogeneous Phases and Interface Detections
      Ning Chen, Yuhui Li, Tianle Zhang, Jin Yang, Xiaoguo Zhou, Shilin Liu
      DOI: 10.1063/1674-0068/cjcp2502011
      Abstract FullText HTML PDF
      Proposed Nanoscale Spin Field-Effect Transistors with 2D Ferroelectric Rashba Semiconductors
      Jing Chen, Mengshuo Kang, Qiwei Hu, Pan Gao, Tongwei Li, Liangyu Wang, Weiwei Ju, Wei Hu
      DOI: 10.1063/1674-0068/cjcp2412160
      Abstract FullText HTML PDF
      Coverage Dependent Desorption Energy of Molecular Hydrogen Induced by Encounter Desorption: Quantum Tunneling Effects
      Qingkuan Meng, Donghui Quan, Xiao-Hu Li, Qiang Chang
      DOI: 10.1063/1674-0068/cjcp2410141
      Abstract FullText HTML PDF
      Theoretical Study of Dehydrogenation Reaction Mechanism on Cu10, Au10, Au8Cu2, or Cu1/Au8Cu2/TiO2 Surfaces
      Hongwei Li, Ruimin Wang, Caifang Han, Bo Ren, Hongjun Fan
      DOI: 10.1063/1674-0068/cjcp2410136
      Abstract FullText HTML PDF
      Thermally Induced Transformation from Cu/FeO/Pt(111) to CuPt3/FeO/Pt(111)
      Xusong Wei, Xiu-e Li, Xiao Han, Richard Gubo, Pengju Ren, Ming Qing, Hong Wang, Yong-wang Li, Yong Yang, Xiao-Dong Wen, Xin Yu
      DOI: 10.1063/1674-0068/cjcp2412157
      Abstract FullText HTML PDF
      Exploring Bonding Properties, Extraction and Separation Performance of Furan-based N,O-Hybrid Extractants for Am(III) and Eu(III)
      Weiqing Dong, Lin Dai, An Yong Li
      DOI: 10.1063/1674-0068/cjcp2412162
      Abstract FullText HTML PDF
      Construction of Molecular Self-assembled Tessellations on Noble Metal Surfaces by Vertex Design
      Huimin Xu, Linjie Chen, Jin Zhao, Shijing Tan, Bing Wang
      DOI: 10.1063/1674-0068/cjcp2411147
      Abstract FullText HTML PDF
      Uncovering Self-Optimization of Single-Atom Alloy for Active CO2 Electrochemical Reduction Reaction
      Dan Wu, Xinyi Shen, Xue Zhang, Zhiguo Sun, Xiaokang Liu, Linlin Cao
      DOI: 10.1063/1674-0068/cjcp2409125
      Abstract FullText HTML PDF
      Parameterization of Reactive Force Field for Thiol Oxidation and Disulfide Linking
      Shengwei Yuan, Guohui Li
      DOI: 10.1063/1674-0068/cjcp2408115
      Abstract FullText HTML PDF
      Excited State Dynamics and Charge Transfer in Quinoidal Cyclopenta- dithiophene Derivative
      Xuesi Li, Wei Sun, Jin Wen
      DOI: 10.1063/1674-0068/cjcp2409120
      Abstract FullText HTML PDF
      Ab initio Chemical Kinetics of (2-Furyl)(hydroxy)methyl with O2
      Lili Xing, Jintao Cui, Qianhao Chen, Liuchao Lian, Huanhuan Wang, Yunrui He, Mengjie Liu, Xuetao Wang
      DOI: 10.1063/1674-0068/cjcp2409128
      Abstract FullText HTML PDF
      Photoconversion Efficiency of Polar Double Iodide Perovskite (CsRb)(GeSn)I6: Theoretical Investigation
      Rekia Larbi, Naouel Chelil, Mohammed Sahnoun, Omar Sahnoun
      DOI: 10.1063/1674-0068/cjcp2408107
      Abstract FullText HTML PDF
      Perovskite Phase Transformation Products for Repeatable Fluorescence Response to Solvents
      Shuoshuo Zang, Yan Yu, Lan Zhang, Hewen Liu
      DOI: 10.1063/1674-0068/cjcp2409126
      Abstract FullText HTML PDF
      Theoretical Insights into Impact of Direct Transfer Coupling on Conductance Spectrum of Diradical Molecular Junction
      Chen Cai, Dongqi Wang, Lijun Zuo, Xiao Zheng
      DOI: 10.1063/1674-0068/cjcp2408106
      Abstract FullText HTML PDF
      Identification of Amide Oxygen as First Protonation Site in Gaseous Short Peptides: Theoretical Evidence from a First-Principles Study
      Yong Tang, Li Xu, Mengge Cao, Kuan Zhou, Hongbao Li
      DOI: 10.1063/1674-0068/cjcp2405074
      Abstract FullText HTML PDF
      Column
      Measuring Reaction Rates for Heterogeneous Catalysis†‡
      Jiamei Quan, Alec M. Wodtke
      2025, 38(6): 729-749. DOI: 10.1063/1674-0068/cjcp2509146
      Abstract FullText HTML PDF
      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
      Abstract FullText HTML PDF
      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
      Abstract FullText HTML PDF
      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
      Abstract FullText HTML PDF
      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
      Abstract FullText HTML PDF
      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
      Abstract FullText HTML PDF
      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
      Abstract FullText HTML PDF
      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
      Abstract FullText HTML PDF
      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
      Abstract FullText HTML PDF
      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
      Abstract FullText HTML PDF
      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
      Abstract FullText HTML PDF
      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
      Abstract FullText HTML PDF
      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
      Abstract FullText HTML PDF
      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
      Abstract FullText HTML PDF
      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
      Abstract FullText HTML PDF
      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
      Abstract FullText HTML PDF
      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
      Abstract FullText HTML PDF
      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
      Abstract FullText HTML PDF
      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
      Abstract FullText HTML PDF
      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
      Abstract FullText HTML PDF
      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
      Abstract FullText HTML PDF
      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
      Abstract FullText HTML PDF
      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
      Abstract FullText HTML PDF
      Reusable Shape-Memory Amorphous Structure Color Photonic Paper for Press Printing
      Yu Miao, Meixing Ai, Mingshuo Tang, Zhiwei He, Zhihao Wang, Yunlong Wang
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