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Atomic and Molecular Structure and Spectroscopy Contents   Vol.41, No.6, 2024      

Z-scheme InN/SnS2 van der Waals heterojunction increases photocatalytic overall water splitting--Dai Zhuo-Ni, Sheng Wei and Xu Ying [494]

Analysis of electronic structure properties and optical effects of O and Na doped monolayer h-BN based on density functional theory--Zhou Guo-Jian, Peng Zhang-E, Liu Lin and Luo Jian-Ping [133]

Study on Reaction Mechanism and Kinetics of NO and SH Radical--Hao Hao, Zhou Lu, Shi Shao-Xu and Ma Hong-He [198]

Theoretical Calculation and Experimental Study on Infrared Spectra of Coumarin C545T--Lian He-Hua, Lv Zhao-Yue, Wang Xiao, Zou Ruo-Yu and Yin Yu [127]

Investigation of strain effect on hydrogen evolution reaction catalysts of TiC2--Sun Nan-Nan, Zhao Zhi-Chao, Zhao Cui-Lian, Ji Qing-Chang and Zhang Yu [140]

Theoretical study on molecular structures and spectral properties of ginkgolides--Li Li-Hua, Wei Ran, Zhang Xin, Li Yun-Zhi, Wang Ai-Xiang and Xia Qi-Ying [249]

Single-atom Y supported on ITO surface for NO and CO gases adsorption : a first-principle study--Cao Yu, Wu Hai-Long, Qiu Chen, Zhang Li-Zhi, Wang Ze-Rui, Zhong Shan and Zhou Xiao-Long [95]

Cluster and Nanostructure

Adsorption and dissociation properties of hydrogen molecules on Na2Al6 clusters--Tong Xiao-Gang, Ma Wei-Hong, Xue Yu-Feng and Li Wei [163]

Geometric and electronic structures of Mon(n=2-13) and MonC(n=1-12) clusters--Yang Wen-Hui, Xiang Yue, Chen Xuan and Duan Hai-Ming [124]

Molecular Dynamics Study on Phase Transition Mechanism of Tetragonal Zirconia Nanorods under Uniaxial Tension--Zhong Jin-bao, Li Lei, Dou Yong-Hui, Qi Jing-Shuai and Jiang He-Qun [256]

The control of thermal conductivity in two-dimensional graphene/hexagonal boron nitride lateral heterostructures by pore defects--Zhai Fang-Yuan, Zhang Ding-Bo, Cao Zeng-Qiang, Huang Xiao-Yu, Ni Yu-Xiang, Wang Hong-Yan and Zhang Wen-Ting [194]

Molecular dynamics simulation of electric double layers inside the conducting graphene nanopores--Dong Le and Jiang Geng-Ping [164]

Plasmas and Atomic and Molecular Collisions
Atomic and Molecular Physics under Extreme Condition
Quantum Optics and Quantum Information
Interdisciplinary Subject with Atomic and Molecular Physics

Effect of Ni4Ti3 precipitates on phase transformation behavior of NiTi superelastic shape memory alloy--Zheng Ye-Kun, Zhao Rui-Dong and Yu Chao [175]

Modeling study on the roles of co-nonsolvency in volume transition of polymer gels--Li Kang-Rui, Li Xun, Wang Shu-Heng, Liu Bi-De, Wang Li-Yun, Zhao Xin-Jun and Li Jiu-Zhi [156]

Study of the effect of Y doping on the electronic structure and absorption spectrum of ZnTe based on selective doping orientation--Li Hao-Nan and Li Cong [235]

First-principles calculation of MoSi2N4 doped with transition metals W、Mn、V and Ti--Yao Deng-Lang, Huang Ze-Chen, Guo Xiang, Ding Zhao and Wang Yi [171]

First - principles study of electronic and optical properties of two - dimensional Ag2S--Xiang Yue, Zhang Chuan-Chuan, Yang Wen-Hui and Duan Hai-Ming [242]

Measurement of Vapor Liquid Equilibrium for ternary refrigerant mixture R290+R600a+N2--Han Shu-Kang, Qi Ying-Xia, Yang Han-Ning, Xu Xiao-Lei, Tao Jie, Wang Fei and Liu Ye-Feng [103]

Molecular dynamics study on the effect of voids on the tensile properties of FeCrNiCoCu high-entropy alloy--Zhu Pu-Jie, Yang Long-Long, Zhang Liang and Sun Kun [120]

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