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Atomic and Molecular Structure and Spectroscopy |
Contents Vol.42, No.5, 2025
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Thermodynamic study of cellulose pyrolysis mechanism based on Density Functional Theory--Zhou Jun-Jie, Chen Xi, Tang Song-Zhen, Li Zhi-Cong [302] |
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Quantum chemical study on the adsorption characteristic of NO on the surface of biochar--Zhu Shi-Yao, Xue Jie-Wen, Zhang Yu-Xuan, Chen Bin, Wu Wei-Dong [398] |
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Study on the mechanism of g-C3N4-supported bimetal Rh@Ru catalyzing ammonia borane hydrogen evolution--Guo Ya-Qiong [169] |
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Study of CO adsorption on C21Si based on First-principles--Zhang Ling, Yin Cheng-Bin, Yang Lei, Lei Sheng, Ma Bei-Bei, Zhao De-Yong, Wang Yuan [185] |
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Nitrogen and oxygen substituted benzophenanthrene units α- Cyanodiphenylene Research on Probe Performance for Nitroaromatic Explosives--Zhang Yu-Jin, Chen Zi-Ran, Li Bo, Zhang Yu-Hong, HE Xu-Dong, Zhang Li-Ping [153] |
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Theoretical study of NO2 adsorption on the metal dimer and nitrogen co-doped graphene (Gra) M2N6-Gra (M=Cr-Cu)--Zhang Zhan-Bo, Yu Jiao, Wei Ya-Ru, Zhang Xuan, Jin Xin, Zhang Zi-Yin, Yang Bao-Cheng, Zhang Lei-Lei [200] |
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Theoretical and experimental study on Infrared and Raman spectra of New Psychoactive Substance ethcathinone--Wang Shu-Dong, Wang Ye, Ouyang Jia-Hui, Zhang Lin, Zheng Xuan, Zhang Yan [152] |
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Cluster and Nanostructure |
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Effect of silicon doping on aluminum nitride films with different substrates--Wang Xu, Yang Fa-Shun, Xiong Qian, Zhou Liu-Han, Ma Kui [202] |
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Energy and structural evolution of the ground states of FenCo55-n and ConMo55-n (n=0-55) clusters--Chen Biao, Zheng Qi-Qi, Chen Xuan, Duan Hai-Ming [171] |
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Investigation of Tuning the Electronic and Magnetic Properties of Bilayer Penta-graphene by First-principles Calculations--Wu Jing-He, Ding Ya-Ni, Guo Meng-Yu, Chen Wei-Guang, Wang Mei-Juan, Shi Jin-Lei [186] |
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Study on the Mass Transfer Characteristics of Methane/Ethane Mixture Nanofluid Film Evaporation--Lin Xiao-Chen, Ding Xin, Li Ya-Ning, Lan Zhi-Xiang, Liu Na, Zhang Lin-Yang, Guo Jian-Xiang [134] |
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Study on the effect of nano-pores on FeO fracture in polycrystalline FeO/Fe based on MD--Gong Jian-Xiong, Zhou Cun-Long, Guo Rui, Chai Ze-Lin, Meng Yu-Feng, Wang Tian-Xiang [288] |
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Simulation of co-assembly of star-shaped AB compolymer and A homopolymers--Duan Run-Yu [121] |
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Hydrogen storage property of superalkali NLi4 decorated DHQ-graphene--Dai Xiao-Le, Wang Yun-Hui, Huang Xin [186] |
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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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Uranium effect on hydrogen interactions with intrinsic point defects in α-Al2O3--Yang Fei-Long, Xiang Xin, Hu Li, Zhang Gui-Kai, Chen Chang-An [126] |
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Formation and stability of point defects in monolayer Cs2PbI2Cl2--He Shi-Ying, Zhao Yu-Qing, Zou Dai-Feng, Xu Ying, Liao Yu-Jie, Yu Zhuo-Liang [340] |
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Prediction of Morphology of TNBA Crystals in Binary Solvents Based on Improved Adhesive Energy Model--Du ji-Hang, Wang Bao-Guo, Chen Ya-Fang, Li Xin-Yi, Zhao Wen-Hu, Zhang Yan-Liang [138] |
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Formation and stability of point defects in bulk ReS2--He Shi-Ying, Zhao Yu-Qing, Zou Dai-Feng, Xu Ying, Liao Yu-Jie, Yu Zhuo-Liang [514] |
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Research on Stability and Related Systems of TiAl-Nb Intermetallic Compounds Based on First principles and Thermodynamic Calculations--Wang Wen-yang, Xu Yong, Tian Bin, Gan Xin-Zhu, Wang Zhi-gang, Liang Yong-Feng, Lin Jun-pin [232] |
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Study on the effect of germanium-tin concentration on the properties of silicon-germanium-tin alloys--Gu Yong-Shun, Wen Shu-Min [122] |
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Electronic properties of the heterostructure based on 2D γ-GeSe--Qiaofang Qing-Luan, Qiao Shuai, Zhang La-Mei, Shang Ji-Min, Feng Shi-Quan [342] |
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Modilation of the NbSe2/MoSi2N4 Schottky-junction Barrier by Baiaxial Strain *--Zhang Yu-Zhe, An Meng-Ya, Xie Quan [181] |
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