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Atomic and Molecular Structure and Spectroscopy Contents   Vol.36, No.4, 2019      

Theoretical study on the reaction between NH3 and BeH2--Dong Xiao [113]

Theoretical analysis of the space charge effect in linear ion trap--Shao Hui-Li, Pan Zhi-Bing, Wang Shun-zhi and Ren Li [72]

Molecular Modeling and Design of Arylthiothioindole Derivatives Based on Topomer CoMFA--Tong jianbo, Wu Lu-Yang, Cao xu, Leishan and Ma yangmin [68]

First principles study of CH4/H2O/CO2 adsorption on β-SiO2 (100) surface--Zhao Jian-Fei, Wang Zhou-Hua, Guo ping and Luo qiang [96]

Solvent Effect on the Adsorption Behavior of Anionic Aspartic Acid on HA (110) Surface by Density Functional Theory--Wang Qun, Sun Yu-Xi, Zhao Hong, Pan wenhui, Ma yan and Ma cui [76]

The Nature of Interlayer Interaction of the Benzene Dimers and Their Carbons Substituted by Boron and Nitrogen Atoms--yu xinghong, chen ying, zheng xiaoyu and WANG Yi-Bo [57]

Adsorption of molecular H2S on monolayer Ti2CO2:a first-principles study--wang yiran, wang lifang, yuan dongyu, kong yueyue and Ma Shu-Hong [114]

Comparative Research of Corrosion Behavior Between DBDS and DBS on Copper Windings Based on Density Functional Theory--Li Ya-Sha, liu zhipeng, wang chengjiang, liu guocheng and tu minglin [88]

Cluster and Nanostructure
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 Pressure on the Structure and Dynamic Properties of Zr67Ni33 Amorphous Alloy--Gao Ai-Tong, yue xingxing, pan shiyan, shen xiaoping and jiang cang [78]

Research on tunable band gap and magnetism of monolayer metal halides CoX2 (X=Cl, Br, I)--Chen Hong-Xia [64]

First-principles calculation and application of Ti, Nb, Al and their binary alloy equations of state--Cheng Chao, Ma Yun-Li, Cao Chao-Min, Sun Jia-Xing and Liu Yan-Xia [67]

First principle study of the β-crystobalite under the effect of electric field--Li Hui-Ran, wang xiaofang, Feng Shi-Quan and Cheng Xin-Lu [74]

d0 half-metallicity of (111) surface and (111) interface for rocksalt SrC--Han Hong-Pei, feng tuanhui, zhang chunli, li ming, feng zhibo and yao kailun [58]

Thermoelectric Properties of Sn Doped In2O3--Hu Yang, Ye Ling-Yun and Yan Yu-Li [62]

Theoretical Calculation on Effects of Void Defects on Properties of Composition B--Miao Shuang, Wang Tao and Wang Yu-Ling [70]

First-principles calculations on the electronic structures and optical properties of ZnO doped with W--Fang Wen-Yu, wei ronghua, Wang Xiao-Wen, zheng yan and Gao Shen [61]

Study of Tensile Properties on Containing Defects 3C-SiC Ceramics by Molecular Dynamics Simulation--Ma Xiao-Qiang, Xu Yu-Qiong, Su Hua-Shan, Du Xiao-Chao, Yuan Xian-Bao and Zhou Jian-Jun [74]

First-principles study of N-Mo-W co-doped rutile TiO2--Fang Xiang and xie quan [66]

The First-Principle Study of Al3X(X=Zr,Ti,Ce,Er) Intermetallic Compounds--Zhong Ming-Jun, Liang Shuang, Huang Fu-Xiang, Ruan Hai-Guang and peng cheng [49]

First-principles study of C2H4 adsorption on Fe, Co and Ni doped graphene surface--Song Shu-Peng, jia nana, gong tiefu, zhou herong and wu ran [71]

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