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Chinese Journal of Chemical Physics cover

Chinese Journal of Chemical Physics

IF1
Papers114
Citations1164
Journal Papers 123
Publication Date
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Uncovering self-optimization of single-atom alloy for active CO2 electrochemical reduction reaction
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deleteWu, Dan; Shen, Xinyi; Zhang, Xue; Sun, Zhiguo; Liu, Xiaokang; Cao, Linlin
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KSSOLV-GPU 2.0: A lightweight MATLAB toolbox for GPU-accelerated plane-wave hybrid functional and spin-polarized density functional theory calculations
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deleteZeng, Yehao; Zhang, Zhenlin; Luo, Zhaolong; Gao, Jun; Chen, Sheng; Wu, Wentiao; Lin, Yexuan; Zhang, Yihong; Qin, Xinming; Wang, Weiyi; Zhuo, Zhiwen; Jiao, Shizhe; Hu, Wei
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Construction of molecular self-assembled tessellations on noble metal surfaces by vertex design
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deleteXu, Huimin; Chen, Linjie; Zhao, Jin; Tan, Shijing; Wang, Bing
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Excited state dynamics and charge transfer in quinoidal cyclopentadithiophene derivative
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deleteLi, Xuesi; Sun, Wei; Wen, Jin
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Theoretical insights into impact of direct transfer coupling on conductance spectrum of diradical molecular junction
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deleteCai, Chen; Wang, Dongqi; Zuo, Lijun; Zheng, Xiao
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Identification of amide oxygen as first protonation site in gaseous short peptides: Theoretical evidence from first-principles study
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deleteTang, Yong; Xu, Li; Cao, Mengge; Zhou, Kuan; Li, Hongbao
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Theoretical study of dehydrogenation reaction mechanism on Cu10/TiO2, Au10/TiO2, Au8Cu2/TiO2, or Cu1/Au8Cu2/TiO2 surfaces
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deleteLi, Hongwei; Wang, Ruimin; Han, Caifang; Ren, Bo; Fan, Hongjun
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Ab initio chemical kinetics of (2-furyl)(hydroxy)methyl with O2
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deleteXing, Lili; Cui, Jintao; Chen, Qianhao; Lian, Liuchao; Wang, Huanhuan; He, Yunrui; Liu, Mengjie; Wang, Xuetao
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Parameterization of reactive force field for thiol oxidation and disulfide linking
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deleteYuan, Shengwei; Li, Guohui
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Thermally induced transformation from Cu/FeO/Pt(111) to CuPt3/FeO/Pt(111)
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deleteWei, Xusong; Li, Xiu-e; Han, Xiao; Gubo, Richard; Ren, Pengju; Qing, Ming; Wang, Hong; Li, Yong-wang; Yang, Yong; Wen, Xiao-Dong; Yu, Xin
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Machine learning driven ReaxFF optimization for combustion
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deleteSun, Yueqian; Zhang, Shuwen; Zhang, John Z. H.; Zhu, Tong
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A multi-scale molecular dynamics scheme/toolkit for polymer Modeling
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deleteZhen, Miaolan; Li, Mingyang; Xu, Jialei; Shi, Rui; Qian, Hujun; Zhu, Youliang; Lu, Zhongyuan
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PyMEDA: A unified python framework for multiscale energy decomposition Analysis
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deleteXiong, Xuewei; Lu, Xingyuan; Zhang, Yueyang; Wu, Zijing; Ying, Fuming; Wu, Wei; Su, Peifeng
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PyQED: A python framework for Ab initio geometric quantum dynamics
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deleteXie, Yujuan; Zhu, Xiaotong; Gu, Bing
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Diol-based deep eutectic solvent for cellulose hydrogels from corncob as solid electrolytes for zinc-ion hybrid supercapacitors
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deleteDuan, Yi; Yan, Lifeng
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Dipole-encapsulation as a strategy for the formation of helium- and neon-containing compounds
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deleteEvans, Corey; Yang, Shengfu
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Extended dissipaton theory for higher-order bath couplings and application to non-condon spectroscopy with anharmonicity
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deleteZhu, Zi-Fan; Su, Yu; Wang, Yao; Xu, Rui-Xue; Yan, YiJing
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Reactions between HOCO+ and H2 produce water: A computational study
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deleteZheng, Mengqi; Zhi, Yaya; Hu, Jie; Tian, Shan Xi
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Bond-selective chemistry: A foundation for bond-selective imaging
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Effect of catalyst concentration on the properties of bio-based epoxy vitrimer with dynamically adaptive networks
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deleteZhang, Wenyan; Chu, Yuting; Li, Chuang; Fu, Yao
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