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Atomic and Molecular Structure and Spectroscopy |
Contents Vol.42, No.4, 2025
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Interaction mechanism of Br?nsted acid sites and basic molecules in HMFI zeolites--Zheng Jian, Qin Kang, Qin Yu-Cai, Song Li-Juan [209] |
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Quantum chemical calculations and validation of the intermolecular interactions between baicalin and matrine--Dong Zhi, Shu Qi-Jiang, Tian Shuang, Wang Jiao, Hou An-Guo, Wang Wen-Ping [412] |
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Effect of substituents on the excited-state properties of IDICR series molecules--Chen Shu-Wen, Zan Feng-Jiao, Wang Yong-Han, Liu Guo-Kui, Wei Yao-Yao, Li Yun-Zhi, Zhou Guang-Li, Leng Xia, Xia Qi-Ying [202] |
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Study on dissociation properties of vinyl bromide in an external electric field--Zhou Hua-Sen, Han Bo-Yuan, Nuerbiye Aizezi, Zhang Wu-Yi, Zhu Yi-Hong, Liu Yu-Zhu [419] |
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Molecular simulation study of the microstructures and properties of pyridinium ionic liquid [HPy][BF4] mixed with acetonitrile--Xu Jian-Qiang, Ma Zhao-Peng, Cheng Si, Liu Zhi-Cong, Zhu Guang-Lai [237] |
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Experimental and theoretical study of terahertz spectroscopy of 1-naphthol--Wang Li-Min, Zhu Li-Jiang, Sun Yan-Hua [128] |
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Investigation of O2 adsorption and dissociation properties on Pentagonal graphene--Wu Jing-He, Ding Ya-Ni, Guo Meng-Yu, Chen Wei-Guang, Shi Jin-Lei [169] |
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Effect of hydrogen permeation on crack propagation behavior of BCC metal--Zhu Yun-Die, Zhao Ke-Ke, Zhang Ji-Ding, Jiang Xiao-Yu [254] |
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Study on the mechanism of hydrogenation reaction of 5-hydroxymethyl furfural on CuPd(111)--Zhang Xing-Yun, Zhou Guang-Li, Shi Yun [192] |
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Cluster and Nanostructure |
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The Study of the Adsorption Mechanism of Glyphosate on Doped Phosphorene Two Dimensional Nanomaterials--Wang Qun, Zhou Nai-Wu, Shan Zheng-Li, Qin Qing-Yu, Liu Yu-Jia, Wang Mei, Mei Qing-Gang, Sun Yu-Xi [240] |
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DFT investigation on the redox potential of fullerenes regulated by doping and halogenation--Li Jian, Sun Bing-Hua, Wang Chun-Ni, Li Ao, Lv Xiang-Hong, Wang Chen, Dai Pan [129] |
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Molecular Dynamics Simulation of Printed Metal Microdroplets Impacting on Rough Surfaces--Su Ren-Jian, Chen Xiao-Yong, You Zi-Hao [159] |
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Molecular dynamics study on fatigue properties and defect evolution of FeCrNiCoCu alloy--Zhu He-Jun [304] |
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First-principles study of superconductivityfor the carbon group elements--Han Pei-Chen, Lin Yong-Yi, Zheng Lei, Liu Qi-Jun, Liu Zheng-Tang, Gao Juan [344] |
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First principles study of geometry structures and properties of M@B12N12 (M=Sc-Zn) clusters--Zhang Song, Cheng Lu, Wu Xue-Ke [143] |
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Plasmas and Atomic and Molecular Collisions |
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Photoionization cross sections measurements of the 4f13(2F05/2)6s6p(1P01)(5/2,1)7/2and4f13(2F05/2)6s6p(1P01)(5/2,1)5/2 excited states of thulium in the near threshold region--Zhang Zhen-Mei, Yuan Zi-Ling, Wang Zhi-Cheng, Hua Ze-Feng, Yao Guan-Xin, Yang Xin-Yan, Sun Zhong-Fa, Qin Zheng-Bo, Zheng Xian-Feng [267] |
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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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Thermodynamic mechanism of carbide precipitation under magnetic field--Liao Yi-Ying, Hou Ting-Ping, Yang Yu-Hao, Zheng Yi-Hang, Yu Tao, Liu Wu-Ming, Wu Kai-Ming [301] |
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First principles study on the effect of Si doping on the optoelectronic properties of Ga2O3/BP heterojunctions--Li Jia-Hong, Hao Zeng-Rui, Xue Rui-Xin, Kan Hong-Mei, Guan Yu-Qin [367] |
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First-principles study of the ferroelectric properties of (K0.5Na0.5)Nb1-xTaxO3--Chu Xin-Jian, Lei Bo-Cheng, Liu Chen-Xi, Liu Ji-Bo [186] |
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Charged impurities in two- dimensional GaN: a First-principles calculation--Luo Zi-Jiang, Mao Qi, Chen Zhi-Tao, Li Gai, Liu Xue-Fei, Wang Ji-Hong [416] |
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First-principles calculations of the FeCoRE magnetic exchange constant and study of the Curie temperature increase mechanism--Li Zhi-Wei, Zhu Ying-Li, Luo Gang-Tao, Chen Ping-An, Li Xiang-Cheng [108] |
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Crystal morphology of TKX-50 under one-component solvent system using molecular dynamics--Dong Ling, Chen Fang, Li Tian-Hao, Guo Guo-Qi, Jia Xiang-Yu, Mi Fang-Qi, Ning Rui-Xing [114] |
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First-principles study of the thermal transports and thermoelectric properties of MXene Hf2CF2 monolayer--Dong Wen-Xin, Li Tie-Ping, Zhang Li, Ding Ying-Chun, He Kai-Hua [157] |
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Theoretical Study on the Stable Conformation of 5R, 6S-Tg Stereoisomers--Wang Shu-Dong, Gong WeiPing, Wang Ye, Sun Tao, Wu Jing-Jie [122] |
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