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    Chinese Abstracts
    2022, 35(3): iii-vi.
    Abstract PDF
    Alternative Role of Motif B in Template Dependent Polymerase Inhibition
    Xueying Luo, Tiantian Xu, Xin Gao, Lu Zhang
    2022, 35(3): 407-412. DOI: 10.1063/1674-0068/cjcp2203053
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    CO$ _{2} $ Reduction on Metal-Doped SnO$ _{2} $(110) Surface Catalysts: Manipulating the Product by Changing the Ratio of Sn:O
    Lei Cui, DaDi Zhang, Yuan Kong, Xiao Zheng
    2022, 35(3): 413-421. DOI: 10.1063/1674-0068/cjcp2104077
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    Excited-State Double Proton Transfer of 1, 8-Dihydroxy-2-Naphthaldehyde: a MS-CASPT2//CASSCF Study
    Bin-Bin Xie, Ke-Xin Wang, Pei-Ke Jia, Xiang-Yang Liu, Ganglong Cui
    2022, 35(3): 422-430. DOI: 10.1063/1674-0068/cjcp2109163
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    Theoretical Investigations on Photodissociation Dynamics of Deuterated Alkyl Halides CD3CH2F
    Shuangfei Gu, Zhi-Hao Jin, Tong Zhu, Zeng Hui Zhang
    2022, 35(3): 431-442. DOI: 10.1063/1674-0068/cjcp2110211
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    Effects of Vibrational and Rotational Excitations on Dissociative Chemisorption Dynamics of N2 on Fe(111)
    Huixia Shi, Tianhui Liu, Yanlin Fu, Hao Wu, Bina Fu, Dong H. Zhang
    2022, 35(3): 443-450. DOI: 10.1063/1674-0068/cjcp2201009
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    Understanding Photolysis of CH$ _\bf{3} $ONO$ _\bf{2} $ with on-the-fly Nonadiabatic Dynamics Simulation at the ADC(2) Level
    Juanjuan Zhang, Jiawei Peng, Deping Hu, Chao Xu, Zhenggang Lan
    2022, 35(3): 451-460. DOI: 10.1063/1674-0068/cjcp2201013
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    EOM-CCSD-Based Neural Network Diabatic Potential Energy Matrix for $ ^\textbf{1} $$ \mathit{\boldsymbol{\pi}} $$ \mathit{\boldsymbol{\sigma^*}} $-Mediated Photodissociation of Thiophenol
    Siting Hou, Chaofan Li, Huixian Han, Changjian Xie
    2022, 35(3): 461-470. DOI: 10.1063/1674-0068/cjcp2201016
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    Theoretical Study of Hydrogen-Bond Interactions of CO$ _\textbf{2} $ in Organic Absorbent 1, 3-Diphenylguanidine
    Yiqiu Wang, Han Gao, Yajing Li, Igor Ying Zhang, Fei Xia
    2022, 35(3): 471-480. DOI: 10.1063/1674-0068/cjcp2201017
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    Mode Specificity Dynamics of Prototypical Multi-Channel H+CH3OH Reaction on Globally Accurate Potential Energy Surface
    Dandan Lu, Jun Li
    2022, 35(3): 481-487. DOI: 10.1063/1674-0068/cjcp2201018
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    Interpretation of Adiabatic and Diabatic Populations from Trajectories of Branching Corrected Surface Hopping
    Xin Guo, Jiabo Xu, Guijie Li, Linjun Wang
    2022, 35(3): 488-498. DOI: 10.1063/1674-0068/cjcp2201023
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    Boron-containing Thermally Activated Delayed Blue Fluorescence Materials via Donor Tuning: a Theoretical Study
    Yan-Lin Ji, Quan-Song Li
    2022, 35(3): 499-508. DOI: 10.1063/1674-0068/cjcp2203039
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    Comparative Analysis of Hydration Layer Reorientation Dynamics of Antifreeze Protein and Protein Cytochrome P450
    Hongfeng Yu, Qiang Zhang, Wei Zhuang
    2022, 35(3): 509-515. DOI: 10.1063/1674-0068/cjcp2203038
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    Generalized Fourth-Order Decompositions of Imaginary Time Path Integral: Implications of the Harmonic Oscillator
    Cong Wang, Lihan Zhang, Jian Liu, Jiushu Shao
    2022, 35(3): 516-536. DOI: 10.1063/1674-0068/cjcp2205089
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    Electron Energy Spectroscopic Mapping of Surface Plasmon by Parallel Scanning Method
    Zhongfeng Li, Tuo Liu, Chunkai Xu, Xiangjun Chen
    2022, 35(3): 537-541. DOI: 10.1063/1674-0068/cjcp2205090
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    Delocalized $\pi_3^6$ Bond in OX$_2$ (X=Halogen) Molecules
    Yi-han Tang, Pu Yang, Meng-yuan Chen, Yu-ru Wang, Jia-xin Wang, Jia-wei Xu
    2022, 35(3): 542-550. DOI: 10.1063/1674-0068/cjcp2006101
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    Physical Properties of Si2Ge and SiGe2 in Hexagonal Symmetry: First-Principles Calculations
    Ying-bo Zhao, Shi-xuan Lin, Qing-yang Fan, Qi-dong Zhang
    2022, 35(3): 551-561. DOI: 10.1063/1674-0068/cjcp2008142
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    Flexible Planar Micro-supercapacitors Based on Carbon Nanotubes
    Wen-xiang Cheng, Tong-tong Jiang, Hai-bo Hu
    2022, 35(3): 562-569. DOI: 10.1063/1674-0068/cjcp2008149
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    Protein Templated Au-CuO Bimetallic Nanoclusters toward Neutral Glucose Sensing
    Hong-wei Lv, Quan-fu Li, Hui-ling Peng
    2022, 35(3): 570-577. DOI: 10.1063/1674-0068/cjcp2005076
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    Seaweed-Derived Hierarchically Porous Carbon for Highly Efficient Removal of Tetracycline
    Wen-xiu Qin, Na Sun, Guo-zhong Wang, Hai-min Zhang, Yun-xia Zhang
    2022, 35(3): 578-588. DOI: 10.1063/1674-0068/cjcp2009154
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