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    Chinese Abstracts
    2021, 34(5): iii-iv.
    Abstract PDF
    Generalized Quantum Master Equation: A Tutorial Review and Recent Advances†
    Dominikus Brian, Xiang Sun
    2021, 34(5): 497-524. DOI: 10.1063/1674-0068/cjcp2109157
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    Structured Eigenvalue Problems in Electronic Structure Methods from a Unified Perspective†
    Zhendong Li
    2021, 34(5): 525-531. DOI: 10.1063/1674-0068/cjcp2107119
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    Super-exchange and Exchange-Enhanced Reactivity in Fe4S4-Mediated Activation of SAM by Radical SAM Enzymes†
    Jian-qiang Feng, Bin-ju Wang
    2021, 34(5): 532-540. DOI: 10.1063/1674-0068/cjcp2108134
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    Constrained Density Functional Theory Plus the Hubbard U Correction Approach for the Electronic Polaron Mobility: A Case Study of TiO2†
    Yue-Chao Wang, Hong Jiang
    2021, 34(5): 541-551. DOI: 10.1063/1674-0068/cjcp2108136
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    KSSOLV-GPU: an Efficient GPU-Enabled MATLAB Toolbox for Solving the Kohn-Sham Equations within Density Functional Theory in Plane-Wave Basis Set†
    Zhen-lin Zhang, Shi-zhe Jiao, Jie-lan Li, Wen-tiao Wu, Ling-yun Wan, Xin-ming Qin, Wei Hu, Jin-long Yang
    2021, 34(5): 552-564. DOI: 10.1063/1674-0068/cjcp2108139
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    Time-Dependent Density Matrix Renormalization Group Coupled with n-Mode Representation Potentials for the Excited State Radiationless Decay Rate: Formalism and Application to Azulene†
    Jia-jun Ren, Yuan-heng Wang, Wei-tang Li, Tong Jiang, Zhi-gang Shuai
    2021, 34(5): 565-582. DOI: 10.1063/1674-0068/cjcp2108138
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    Recent Implementations in LASP 3.0: Global Neural Network Potential with Multiple Elements and Better Long-Range Description†
    Pei-lin Kang, Cheng Shang, Zhi-pan Liu
    2021, 34(5): 583-590. DOI: 10.1063/1674-0068/cjcp2108145
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    Dynamic Variation of Excitonic Coupling in Excited Bilayer Graphene Quantum Dots†
    Yu Wang, Xin-jing Zhao, Rong-Jing Wei, Gui-jie Liang, Kang Wang, Yuan-zhi Tan, Ye Yang
    2021, 34(5): 591-597. DOI: 10.1063/1674-0068/cjcp2109169
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    Coherent Vibrational Dynamics of [Au25(SR)18]- Nanoclusters†
    Jie Kong, Yan-zhen Wu, Meng Zhou
    2021, 34(5): 598-604. DOI: 10.1063/1674-0068/cjcp2108132
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    Direct Observation of Electron-Vibration Coupling at MXene-Solvent Interface†
    Yan-jun Xu, He-yuan Liu, Hai-long Chen
    2021, 34(5): 605-612. DOI: 10.1063/1674-0068/cjcp2108135
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    Accelerated Interfacial Charge Transfer in Br-Gradient MAPbI3-xBrx Perovskite Thin Films†
    Ye-jun Xiao, Jun-xue Liu, Jing Leng, Bo-ning Wu, Shengye Jin
    2021, 34(5): 613-620. DOI: 10.1063/1674-0068/cjcp2109154
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    Long Chain Fatty Acid Affects Excited State Branching in Bilirubin-Human Serum Protein Complex†
    Yang-yi Liu, Hai-feng Pan, Jian-hua Xu, Jin-quan Chen
    2021, 34(5): 621-627. DOI: 10.1063/1674-0068/cjcp2012220
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    Surface, Size and Thermal Effects in Alkali Metal with Core-Electron Binding-Energy Shifts
    Wen-huan Zhu, Zhong-kai Huang, Mao-lin Bo, Jin Huang, Cheng Peng, Hai Liu
    2021, 34(5): 628-638. DOI: 10.1063/1674-0068/cjcp2011192
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    Reduction of Dimerization Tendency Due to the Decrease in Hybridization Index by Inclusion of 4s and 4p Semicore States as Valence States in Mon (n=2-18) Clusters: A First-Principles Study
    Zhao-ye Gong, Zhi-qiang Sun, Yan-wen Ding, Shuai Zhang, Zhen-long Lv, Xiao-fei Wang, Li-ben Li, Hai-sheng Li
    2021, 34(5): 639-648. DOI: 10.1063/1674-0068/cjcp2009169
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