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Atomic and Molecular Structure and Spectroscopy |
Contents Vol.42, No.3, 2025
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Theoretical investigation of the ground state properties of Group ⅡB metal dihydride molecules--Zhang Zhi-Peng, Yang Pei-Long, Tu Zhe-Yan and Li Ren-Zhong [265] |
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Theoretical Study on Raman spectrum of Gatifloxacin--Chen Yu-Feng, Ren Li-Ying, Chen Hui, Zhao Ning, Han Jin-Ling and Li Yu-Tong [179] |
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Theoretical study of dry reforming of methane reaction catalyzed by Ni-Ag diatomic cluster--Liu Jia, Mu Hong-Mei, Zhang Ming-Ming, Li Wen-Ya, Li Dong-Dong and Zhang Jian-Hui [213] |
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Electronic structure and ultraviolet spectrum of p-C6H4-C20--Chen Xin [140] |
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First principles study of doping on hydrogen evolution of TiC2 nanosheets--Sun Nan-Nan, Zhao Cui-Lian, Pan Mei-Lingh, Zhao Zhi-Chao and Zhang Yu [180] |
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Gas-sensing mechanism of thiol adsorption of volatile organic compounds (VOCs)--Zhang Hai-Yan, Li Qi, Wang Zi-Zhen, Wen Hao and Liu Dan -Feng [234] |
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First principles investigation of the photocatalytic water splitting property of monolayer Janus Ga2SSe--Hu Xin-Hua and Liao Yang-Fang [236] |
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Adsorption mechanism of metal-doped phosphorenes on methylene blue: a DFT-D study--Wang Qun, Zhou Nai-Wu, Zhao Hong-Lin, Deng Yi-Ming, Shan Zheng-Li, Yang Zhi-Hao, Deng Liang-Ping, Mei Qing-Gang and Sun Yu-Xi [139] |
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Cluster and Nanostructure |
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Plasmas and Atomic and Molecular Collisions |
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Atomic and Molecular Physics under Extreme Condition |
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Quantum Optics and Quantum Information |
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Interdisciplinary Subject with Atomic and Molecular Physics |
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First-principles calculations of effects of substituents on impact sensitivity of energetic materials--Li Hong-Yan,Lu Mei,Bao Shi-Yuan,Liu Fu-Sheng,Liu Zheng-Tang,Bai Zhi-Xin and Liu Qi-Jun [546] |
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Theoretical study on heat/electric transport properties of TCNQ molecular junction with graphene electrode--Liu Yi-Wei, Qiu Yi-Feng and Zhang Bei [292] |
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Molecular dynamics simulation of nanoindentation of CoCrNiFeCu high entropy alloy with void--Shi Yin-Hua and Shi Qin [395] |
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Molecular dynamics simulation of the miscibility of thermoplastic cellulose with PVA--Feng Yan-Hong, Chen Shuai-Jie and Sun Hang [349] |
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First-principles study of interface properties of Si and Ga doped diamond/copper composites--Zeng Yong-Mo, Liu Ying, Hu Meng-Han, Wang Tie-Bin, Yu Jie, Cao Yu and Zhou Xiao-Long [171] |
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First-principles calculations of the elastic properties, electronic structure and optical properties of hexagonal Al4SiC4--Liu Yun-Fang, Zhang Fei-Yue, Feng Jia-Yi, Li Wen-Guang and Liu Zheng-Tang [429] |
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Effect of uniaxial strain on electronic structure of intrinsic and N-doped 4H-SiC--Qin Yan-Jun, Zhang Jian-Qiang, Yang Hui-Ya, Fang Zheng, Fan Xiao-Zhen, Kuang Fu-Li, Ye Hui-Qun and Fang Yun-Zhang [155] |
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Experimental study on pool boiling heat transfer performance based on etching treatment--Wang Ju-Ping, Kuang Chun-Chun and Liu Ni [232] |
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