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Atomic and Molecular Structures and Spectrascopy |
Contents Vol.43, No.2, 2026
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Electronic structure and photocatalytic properties of Ag-doped g-C3N4 single-atom catalyst: First-principles study--Jiang Cheng-Cheng, Xie Quan, Zhou Lu-Yu [484] |
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Density functional theory and molecular docking studies on the structure and reactive sites of kinsenoside molecule--Tang Hai-Fei [380] |
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Photocatalytic performance and kinetics of Ag3PO4 micro-crystals--Zhang Lun, Gu Xiu-Quan, Guo San-Dong, Ni Zhong-Hai, Wu Ling [458] |
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Investigation of O2 adsorption and dissociation properties on pentagonal B2C--Shi Jin-Lei, Chen Li-Li, Li Yi, Chen Wei-Guang, Jiang Guang-Zhi [283] |
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The influence of terminal functional groups on the spectral properties of IEIC series molecules--Fan Jia-Ni, Zan Feng-Jiao, Leng Xia, Xia Qi-Ying [325] |
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Theoretical insight into the kinetics for the gas-phase reaction of Cl atom with furan--Zhu Yu-Chen, Zhang Wei-Chao [322] |
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Cluster and Nanostructure |
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DFT-D Investigation of Doped-Phosphorene for the Adsorption of Formaldehyde--Wang Qun, Su Hao-Nan, Gan Wen-Xiang, Ye Xiao-Bo, Du Bai-Yu, Xie Zi, Xu Peng-Cheng, Sun Yu-Xi [427] |
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Properties of adsorption quinoline from Simulated fuel by AgY molecular sieve--Cui Hao-Yang, Hong Xin, Tian Yu, Tang Shi, Tang Ke [257] |
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Structural changes of Co_561-xNi_x alloy cluster in the process of quenching--Long Lin, Xia Ji-Hong, Cheng Zheng-Fu, Xiao Xu-Yang [312] |
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Microstructures of methanol systems at different temperatures investigated by molecular dynamics--Lin Jia-Wei, Zhao Xing-Yu, Han Hong-Bo, Wang Li-Na [441] |
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Hyperhalogen modulation of AlPn(n=1~6) clusters under oriented external electric field--Ren Jing-Hao, Cai Bi-Jun, Wei Qiang [308] |
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Plasmas and Atomic and Molecular Collisions |
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Diagnostics of silicon plasmas produced by nanosecond laser ablation in air--Xiang Qian-Lan, Zhang Xiao-An, Zhou Xian-Ming, Zeng Li-Xia, Mei Ce-Xiang, Li Yao-Zong, Liang Chang-Hui, Wang Yi-Jun, Zhang Ying, Liu Yu, Wei Jing, Meng Hui, Zhang Yan-Ning [380] |
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Atomic and Molecular Physics under Extreme Conditions |
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Effect of temperature and pressure on the structure and properties of TATB based energetic materials--Shao Jing, Li Chen-Liang, Lv Ke-Zhen, Fan Xing, Feng Li-Yang, Lv Xiao-Long [269] |
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Control of harmonic spectrum of HeH2+ to produce isolated attosecond pulse--Yao Yi-Tong, Feng Li-Qiang, Pan Yue, Liu Hang [280] |
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First principles study of electronic structure and superconductivity of xenon nitride under high pressure--Zhao Shuang, Gao Juan, Jiao Zhen [306] |
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Cold Atom and Quantum Information Technology |
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Interdisciplinary Subject with Atomic and Molecular Physics |
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Electronic, mechanical properties and impact sensitivity of metal azides MN3 (M= Li, Na, Ag, Cu) and X(N3)2 (X= Cu, Hg, Pb) from first-principles study--Liu Yu-Shi, Qin Han, Jiao Zhen, Liu Fu-Sheng [313] |
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First-principles study of halogen (F, Cl, Br, I) modification in two-dimensional AlN--Mo Qiu-Yan, Zhang Song, Zhang Hong-Yun, Jing Tao, Wu Jia-Yin [387] |
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The computational simulation of PYX crystal morphology in DMSO/DMF mixed solvents with different volume ratios--Jia Xiang-Yu, Chen Fang, Mi Fang-Qi, Ning Rui-Xing, Hu Zheng-Wen, Bai Ya-Peng [304] |
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First principles study on electronic structure and mechanical properties of O, S, and Se doped ZnTe--Li Jia-Jun, He Zhi-Hao, Wang Yunjie, Ding Jia-Fu, Cui Jian, Su Xin [341] |
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Adsorptive denitrogenation of fuel with C-ZrO2: theoretical studies--Wen Yu, Wang Ying-Gang, Wang Ju-Cai, Zheng Yi-Ni, Tang Ke [278] |
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