|
|
|
Atomic and Molecular Structure and Spectroscopy |
Contents Vol.42, No.4, 2025
|
|
|
|
 |
Interaction mechanism of Br?nsted acid sites and basic molecules in HMFI zeolites--Zheng Jian, Qin Kang, Qin Yu-Cai, Song Li-Juan [142] |
|
|
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 [354] |
|
|
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 [153] |
|
|
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 [372] |
|
|
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 [192] |
|
|
Experimental and theoretical study of terahertz spectroscopy of 1-naphthol--Wang Li-Min, Zhu Li-Jiang, Sun Yan-Hua [83] |
|
|
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 [125] |
|
|
Effect of hydrogen permeation on crack propagation behavior of BCC metal--Zhu Yun-Die, Zhao Ke-Ke, Zhang Ji-Ding, Jiang Xiao-Yu [207] |
|
|
Study on the mechanism of hydrogenation reaction of 5-hydroxymethyl furfural on CuPd(111)--Zhang Xing-Yun, Zhou Guang-Li, Shi Yun [153] |
|
|
|
Cluster and Nanostructure |
|
|
|
|
|
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 [194] |
|
|
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 [82] |
|
|
Molecular Dynamics Simulation of Printed Metal Microdroplets Impacting on Rough Surfaces--Su Ren-Jian, Chen Xiao-Yong, You Zi-Hao [114] |
|
|
Molecular dynamics study on fatigue properties and defect evolution of FeCrNiCoCu alloy--Zhu He-Jun [254] |
|
|
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 [297] |
|
|
First principles study of geometry structures and properties of M@B12N12 (M=Sc-Zn) clusters--Zhang Song, Cheng Lu, Wu Xue-Ke [107] |
|
|
|
Plasmas and Atomic and Molecular Collisions |
|
|
|
|
|
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 [227] |
|
|
|
Atomic and Molecular Physics under Extreme Condition |
|
|
|
|
|
|
|
Quantum Optics and Quantum Information |
|
|
|
|
|
|
|
Interdisciplinary Subject with Atomic and Molecular Physics |
|
|
|
|
|
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 [251] |
|
|
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 [316] |
|
|
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 [146] |
|
|
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 [369] |
|
|
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 [63] |
|
|
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 [77] |
|
|
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 [105] |
|
|
Theoretical Study on the Stable Conformation of 5R, 6S-Tg Stereoisomers--Wang Shu-Dong, Gong WeiPing, Wang Ye, Sun Tao, Wu Jing-Jie [88] |
|
|
|
|
