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Atomic and Molecular Structure and Spectroscopy |
Contents Vol.42, No.2, 2025
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Simulation calculation of adsorption nitride by oxygen-containing functional groups on coal surface--Sun Xiao-Di, Tang Ke, Wang Ju-Cai, Fu Tian and Hong Xin [246] |
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First-principles study on adsorption of methane on sodium montmorillonite--Fang Zhi-Jie, Li Bo, Song Chang-Hui, Liu Mei-Ling, He Qiu-Zhi, Liu Xiang and Mo Man [198] |
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Theoretical Study on the Second-order Nonlinear Optical Properties of bisazo-dibenzo [b,i] thianthracene -[2,3-b] benzene-5,7,12, 14-tetrone derivative molecules--Zhang Yu-Hong, Li Bo, Chen Zi-Ran, Li Yuan, Xu You-Hui, Zhang Li-Ping and He Xu-Dong [176] |
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Theoretical study on the effects of Cu doping and defect coexistence to ZnO photocatalysis--Zhang Hai-Feng, Zhao Jin-Zhong, Yi Si-Jing and Lu Shi-Xiang [233] |
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Density functional theory calculation and infrared spectral analysis of tert-butylhydroquinone--Zhang Zhu-Li, Lu Mei-Hong, Gao Peng-Hui and Wang Zhi-Jun [171] |
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Density functional theory study of structure and property of fluoropezil--Sun Ting-Ting and Wang De-Tang [242] |
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Theoretical study on the molecular and crystal structures of torreyagrandate--Du Hong-Chen, Huan Wei-Wei, Pan Rong-Kai, Li Jie, Liu Bin, Li Meng-Ren, Ma Zhan, Feng Li-Juan, Liu Jun, Meng Ling-Cheng, Liu Hai-Jian, Xing Ren-Wei, Dong Xi-Qing, Sun Chao, Li Chun-Xia and Wang Heng-Quan [199] |
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A DFT investigation on the catalytic performance of MgN4-doped graphene to CO oxidation--Yuan Li, Zheng Ling-Dan, Zhou Hui-Ying and Xu Xian-Yan [180] |
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Cluster and Nanostructure |
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Study on the structural, electronic and optical properties of the Ag-Co clusters based on density functional theory--Li Wei-Yin, Shang Rui-Yong, Wang Chun-Yong and Zhang Yong-Li [323] |
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First-principles study on sodium storage properties of two-dimensional TiS2/TiO2 hybrid nanosheets--Jeiwen-Naibi, Liu Jin-Bao, Zheng Zhi-Hua and Yao Xiao-Long [278] |
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Research on the controllable preparation of Bi atomic clusters based on molecular beam epitaxy technology--Ma Yu-Lin, Guo Xiang and Ding Zhao [191] |
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Study of electronic transport properties in negative resistance devices based on zigzag aluminum nitride nanoribbons--Huang Jiang-Xue, Huang Qi-Jun, He Jin, Wang Hao and Chang Sheng [150] |
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Molecular dynamics simulation of wetting behavior of water droplets hitting solid surfaces at the nanoscale--Wang Mei-Ting, Qi Ying-Xia, Tao Jie, Chen Xi, Yang Yu-Shui, Zhang Lei, Liu Ni and Yang Guo-Cheng [159] |
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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 study on electronic properties and strain regulation effects of m-DABDT metal-organic frameworks--Liu Jin-Bao, Jiewen NaiBi, Cui En-Hao and Yao Xiao-Long [287] |
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Analysis of the electronic structure and optical properties of C-Cd doped ZnO based on first principles--Zhang Shan-Xiang, Li Hai-Xia, Yu Zhen, Wu Hao-Wei and Zhang Wei-Zhong [275] |
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Theoretical investigation of the mechanical properties, electronic structure and phonon transport characteristics of 2D X2UO4 (X = K, Rb, Cs)--Cheng Jun [203] |
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Theoretical Study on the Effect of Li Doping on the Photoelectric Properties of 4H-SiC--Li Ping, Yin Wei, Pan Xue-Cong, Pang Guo-Wang, Ma Ya-Bin, Yang Ya-Hong, Yang Fei-Yu, Zhang Pan and Qin Yan-Jun [211] |
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The study of ferrovalley properties for two-dimensional Janus LuClI--Zhu Jing-Xin and Guo San-Dong [157] |
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Study on the Electrophonic Coupling and Transport Properties of Metal Halide Perovskite CsPbBr3--Yang Fan and Zhou Xian-Zhong [294] |
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Research on Mechanism of 4d metal-doped MoS2 to improve NO2 sensing performance--Pan Yi-Cui, Luo Lei, Gao Xin, Fu Yue, Mou Zhi-Yao, Zhu Hong-Qiang and Feng Qing [162] |
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Study on the stabilities and photoelectric properties of Mn, Zn, Sn doped CsPbI3--Zhang Ren-Jie, Tao Hong-Shuai and Hao Qi-Sheng [366] |
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