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Atomic and Molecular Structure and Spectroscopy Contents   Vol.38, No.1, 2021      

Effect of aromatic substituent on the excited state proton transfer and spectral properties of 2-(2-hydroxyphenyl)benzimidazole: A theoretical study--Yi Ping-Gui,Li Yu-Ru,Tao Hong-Wen,Peng Wen-Yu,Mei Gang and Xu He-Yi [216]

First-principles calculation of SO2 and NO2 adsorbed on γ-Al2O3 (110) surface--Shen Bin, Luo Min, Zhao Li-Na, Shao Yang, Xu Dian-Dou, Xu Gang, Wu Ming-Hong and Ma Ling-Ling [131]

Nogo-B induce oxLDL degradation and activation of liver cancer gene--Ma Jun-Ren, Li Jiu-Zhi and Zhao Xin-Jun [110]

Numerical exploration of population transfer of Rydberg sodium atom via adiabatic passage--Jiang Li-juan,Wang Jin-long,He Bing-ling and Tian Shi-zhen [106]

Molecular dynamics simulation on the interactions between rehmannia catalpol and acetylcholinesterase--Deng Pei-Yuan, Yuan Wei, Li Chang-Kan and Xu Huan-Huan [142]

Wettability alteration mechanism of calcite surface: Molecular dynamics simulation study--Liu Ru-Min, Kang Xiao-Dong, Xin Jing, Wu Ying and Chai Ru-Kuan [107]

The matrix diagonalization approach study on hyperfine structure of 40Ca35Cl--Liu Ya-Jun and Cheng Xin-Lu [96]

Cluster and Nanostructure

Density-functional investigations on the magnetic properties of the mixed Fe, Co and Ni clusters--Chen Xuan, Lu Shu-Wei, Cao Biao-Bing and Duan Hai-Ming [123]

Electron transport properties of N-doped graphene nanoribbons in electrode region--Bu Xi-Xi, Miao Rui-Xia, Guo San-Dong, Ye Hai-An and Shao Qi [74]

Effects of strong exchange interactions on the thermodynamic properties of spin-1 nanotube--Li Xiao-Jie, Li Na, Wang Xue-Wen and Tang Shun-Lei [91]

Computational studies on the structures and stabilities of asymmetric clusters (CH3BrBN3)n (n=1-6)--Ma Deng-Xue, Liu Guo-Kui, Xia Qi-Ying and Song Xing-Liang [79]

Density functional theory study on the reaction between (LiH)n(n=1~5) clusters and NH3--Dong Xiao [99]

Investigation of the transition metal titanium-carbon Clusters--Zhou Liu-Zhu, Meng Xiang-Sheng and Li Xiao-Ming [106]

Study on the first-principles of vanadium supported by carbon nanotubes--Wang Qing-Yun, Tong Yong-Chun, Ma Ke-Xin and Xu Xin-Jian [78]

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

COF-42:An ideal Anchoring Material for Lithium-Sulfur Batteries--Tang Yu-Jiao, Tian Dong-Xu and Yan Xi-Qiang [97]

A new method to calibrate charged-particle velocity map imaging spectrometer--Li Yu-Fan, Zhou Wen-Chang, Fang feng, Zhao Dong-Mei and Yang Jie [102]

Mechanism study of doped graphene on improving mechanical properties and corrosion resistance of epoxy resin--Yao Li-Hua and Zhao Jian-Guo [73]

Structure, Magnetism, and Electronic Properties of Inverse Heusler Alloy Ti2NiAl/MgO(100) Herterojuction--Zhang Yuan-Qiang, Yang Kun, Huang Hai-Shen and Wu Bo [69]

First principles study of magnetic and optical properties in 4H-SiC doped with transition metal Mo--Guo Rui-Xian, Su Jin-Yang and Liu Shu-Ping [103]

Theoretical study on electronic structures and optical properties of Ti-O co-doped grapheme--Li Rui-Qin, Li Dong-Xiang and Yan Wan-Jun [96]

First principles study of doped cathode materials VS4 in magnesium ion batteries--Hu Chuan-Zhu, Zou Jian-Xin and Ding Wen-Jiang [75]

Researches on four different point defects of rutile TiO2--Zhu Hai-Xia [84]

A first principles study of the AuBe5-type NdMgNi4-xCox compounds--Wang Na, Wang Wei-Xing, Zuo Xu-Zhong and Sun Wen-Yang [76]

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