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Atomic and Molecular Structure and Spectroscopy |
Contents Vol.42, No.1, 2025
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Theoretical Studies of Electron Structures and Photics Properties Of Ir(acac)3--Fan Yi-Jia, Wei Jiao-Jiao, Guo Jia-Cheng, Chen Yang-Yin and Du Gong-He [192] |
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Molecular dynamics simulation of microcosmic effect of HTPB on properties of PYX explosive--Mao Jian-Sen, Wang Bao-Guo, Chen Ya-Fang, Tian Xin, Zhao Wen-Hu, Zhang Yan-Liang and Kang Jian-Cheng [157] |
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First principles study on the improvement of N2 gas sensitive adsorption and dissociation reaction performance on Fe and Ir doped MoS2 surfaces--Xiao Xiang-Zhen, Hu Lin-Feng and Zhang Jian-Wei [102] |
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DFT study of second-order nonlinear optical properties of thiophenimide derivatives--Lin Bin-Bin and Yan Hui-Jun [58] |
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Density Functional Theory Study on Molecular Structural And Properties of Dihydromyricetin--Xin Guo-Peng, Mao Min, Liu Xin-Ping, Ma Wen-Tao, Ma Jie and Zhang Yu [323] |
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First-principles study on the electronic structures and photocatalytic properties of doped monolayer MoS2--Xu Qi-Yuan, Gao Peng and Liu Zheng-Tang [259] |
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Molecular mechanism of EGFR rare mutation (S768I)-induced NSCLC based on structural dynamics--Wang Yu-Ting, Liu Meng-Ting, Wang Yan-Wen, Hou Qing-Mei, Yang Li-Quan and Sang Peng [67] |
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Density functional theory study on Raman and ultraviolet spectra of dacarbazine molecule--Chen Yu-Feng, Chen Hui, Ren Li-Ying, Zhao Ning, Han Jin-Ling and Li Yu-Tong [82] |
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Study on the adsorption characteristics of gas by Sc-doped ZnO based on first principles--Zhang Wei-Zhong, Li Hai-Xia, Wu Hao-Wei, Yu Zhen and Zhang Shan-Xiang [108] |
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Cluster and Nanostructure |
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Study on the simulation of quinoline adsorption from model fuel on Y zeolites modified by Ag+, Zn2+ and Cr3+--Sun Xiao-Di, Tang Ke, Gao Chang, Fu Tian, Wang Ju-Cai and Hong Xin [84] |
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Thermoelectric properties of black phosphorus/black arsenic heterojunction under different stress regulations--Rong Yi,Qiu Yifeng and Zhang Bei [102] |
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Computational investigation of structures and properties of graphene- borophene coplanar heterojunction--Liu Hui-Bin, Liu Pin-Yan, Chen Si-Yu, Li Xin-Yue, Zhang Zhen and Zhang Meng [137] |
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Atomistic simulation about the effect of Ru cluster on the deformation of Ni/Ni3Al alloy nanowire--Yang Xi-Yuan [75] |
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Study on adsorption property of CO by Pt-decorated AlN nanotube--Ren Shu-Ning, He Jian-Qiao, Huang Hai-Shen, Shen Guang-Xian and Wu Bo [76] |
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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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Vortex distribution in ground state of rotating Bose-Einstein condensations in two-dimensional optical lattices--Zhang Zhi-Qiang,Wang Ping-Ping and Lv Ya-Nan [178] |
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First-principles study of S vacancy and nonmetallic doped monolayer Bi2S2Se--Zhang Jian-Hua, Wang Min, Chen Chang, Cao Qian and Xu Yin [162] |
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First-Principles Study of Structural Stability and Mechanical Properties of Ta-W/Hf Alloys--Zhou Shao-Lan, Li Zhong-Sheng, Cong Da-Long, Wei Yu, Zhan Qing-Qing, Zhao Zi-Peng and Ran Xu-Dong [116] |
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Studies of electronic structures and stabilities of Co-, Ni- and As-doped gold-loaded pyrites from density functional theory--Wu De-Bao, Tang Yun, Li Guo-Hui, Wu Bo and Nie Guang-Hua [78] |
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A Study of Zirconia doping with Rare-earth Elements Er, Yb and Y by First-principles Calculations--Xiong Wei and Ren Hao [73] |
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Study on the properties of lanthanum doped zinc oxide based on first principles--Wang Xin-Yue, Xu Zhong-Hua, Wu Guang-Cheng, Xie Fu-Zhuo, Yang Jian, Zhu Hui-Ya and Chen Chun-Yan [278] |
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First-principles study of electronic structure and optical properties of rare earth borate birefringent materials--Nuerbiye Tuerhong, Liu Hong-Tao, Cui Xiu-Hua, Liu Jing, Jiang Yi and Jing Qun [192] |
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First-principles calculation of the thermoelectric performance of β-Ga2O3--Deng Nan-Fa and Zhou Xian-Zhong [244] |
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