[1] |
Shen Huan, Hua Lin-Qiang, Wei Zheng-Rong.Solvent effect on ultrafast decay of uracil studied by femtosecond transient absorption spectroscopy. Acta Physica Sinica, 2022, 71(18): 184206.doi:10.7498/aps.71.20220515 |
[2] |
Shi Bin, Yuan Li, Tang Tian-Yu, Lu Li-Min, Zhao Xian-Hao, Wei Xiao-Nan, Tang Yan-Lin.Spectral analysis and density functional theory study of tert-butylhydroquinone. Acta Physica Sinica, 2021, 70(5): 053102.doi:10.7498/aps.70.20201555 |
[3] |
Cui Shu-Wen, Li Lu, Wei Lian-Jia, Qian Ping.Theoretical study of density functional of confined CO oxidation reaction between bilayer graphene. Acta Physica Sinica, 2019, 68(21): 218101.doi:10.7498/aps.68.20190447 |
[4] |
Luan Xiao-Wei, Sun Jian-Ping, Wang Fan-Song, Wei Hui-Lan, Hu Yi-Fan.Density functional study of metal lithium atom adsorption on antimonene. Acta Physica Sinica, 2019, 68(2): 026802.doi:10.7498/aps.68.20181648 |
[5] |
Du Jian-Bin, Zhang Qian, Li Qi-Feng, Tang Yan-Lin.Investigation of external electric field effect on C24H38O4 molecule by density functional theory. Acta Physica Sinica, 2018, 67(6): 063102.doi:10.7498/aps.67.20172022 |
[6] |
Yang Ming-Yu, Yang Qian, Zhang Bo, Zhang Xu, Cai Song, Xue Yu-Long, Zhou Tie-Ge.Electronic structures, magnetic properties and spin-orbital coupling effects of aluminum nitride monolayers doped by 5d transition metal atoms: possible two-dimensional long-range magnetic orders. Acta Physica Sinica, 2017, 66(6): 063102.doi:10.7498/aps.66.063102 |
[7] |
Sun Qi-Xiang, Yan Bing.Computational study of two-body and three-body dissociation of CH3I2+. Acta Physica Sinica, 2017, 66(9): 093101.doi:10.7498/aps.66.093101 |
[8] |
Lian Yu-Xiang, Dai Ze-Lin, Xu Xiang-Dong, Gu Yu, Li Xin-Rong, Wang Fu, Yang Chun, Cheng Xiao-Meng, Zhou Hua-Xin.Terahertz spectrum study of organic electro-optic crystal 4-N, N-dimethylamino-4'-N'-methyl-stilbazolium tosylate. Acta Physica Sinica, 2017, 66(24): 244211.doi:10.7498/aps.66.244211 |
[9] |
Yang Xue, Yan Bing, Lian Ke-Yan, Ding Da-Jun.Theoretical study on the photodissociation reaction of α-cyclohexanedione in ground state. Acta Physica Sinica, 2015, 64(21): 213101.doi:10.7498/aps.64.213101 |
[10] |
Zhang Lai-Bin, Ren Ting-Qi.Theoretical study on the photophysical properties of the newly designed guanine analog y-guanine and its tautomers. Acta Physica Sinica, 2015, 64(7): 077101.doi:10.7498/aps.64.077101 |
[11] |
Wen Jun-Qing, Zhang Jian-Min, Yao Pan, Zhou Hong, Wang Jun-Fei.A density functional theory study of small bimetallic PdnAl (n =18) clusters. Acta Physica Sinica, 2014, 63(11): 113101.doi:10.7498/aps.63.113101 |
[12] |
Li Jun, Zhang Zhen-Hua, Wang Chen-Zhi, Deng Xiao-Qing, Fan Zhi-Qiang.Rolling effects on electronic characteristics for graphene nanoribbons. Acta Physica Sinica, 2013, 62(5): 056103.doi:10.7498/aps.62.056103 |
[13] |
Jin Feng, Zhang Zhen-Hua, Wang Cheng-Zhi, Deng Xiao-Qing, Fan Zhi-Qiang.Twisting effects on energy band structures and transmission behaviors of graphene nanoribbons. Acta Physica Sinica, 2013, 62(3): 036103.doi:10.7498/aps.62.036103 |
[14] |
Tang Chun-Mei, Guo Wei, Zhu Wei-Hua, Liu Ming-Yi, Zhang Ai-Mei, Gong Jiang-Feng, Wang Hui.Density functional calculations of geomatric structure, electronic structure, stability, and magnetic properties of transitional atom endohedral unclassical fullerene M@C22(M=Sc,Ti, V, Cr, Mn, Fe, Co and Ni). Acta Physica Sinica, 2012, 61(2): 026101.doi:10.7498/aps.61.026101 |
[15] |
Li Xue-Mei, Zhang Jian-Ping.Theoretical study on the structure, spectra and thermodynamic property of 5-(2-aryloxy-methylbenzimidazole-1-carbadehyde)-1,3,4-oxadiazole-2-thione. Acta Physica Sinica, 2010, 59(11): 7736-7742.doi:10.7498/aps.59.7736 |
[16] |
Gao Hong, Zhu Wei-Hua, Tang Chun-Mei, Geng Fang-Fang, Yao Chang-Da, Xu Yun-Ling, Deng Kai-Ming.Density functional calculation on the geometric structure and electronic properties of the endohedral fullerene N2@C60. Acta Physica Sinica, 2010, 59(3): 1707-1711.doi:10.7498/aps.59.1707 |
[17] |
Zhu Jing, Lü Chang-Gui, Hong Xu-Sheng, Cui Yi-Ping.Theoretical study on solvent effect of the molecular first hyperpolarizability. Acta Physica Sinica, 2010, 59(4): 2850-2854.doi:10.7498/aps.59.2850 |
[18] |
Li Ming-Xue, Han Kui, Li Hai-Peng, Huang Zhi-Min, Zhong Qi, Tong Xing, Wu Qiong-Hua.Theoretical study of the second-order nonlinear optical properties of one- and two-dimensional charge transfer molecules in solvents. Acta Physica Sinica, 2010, 59(3): 1809-1815.doi:10.7498/aps.59.1809 |
[19] |
Tang Chun-Mei, Zhu Wei-Hua, Deng Kai-Ming.Density functional calculations on the structure, bonding and magnetic properties of the transition metal atom doped endohedral fullerene Ni@C20H20. Acta Physica Sinica, 2009, 58(7): 4567-4572.doi:10.7498/aps.58.4567 |
[20] |
Li Bo, Bao Shi-Ning, Zhuang You-Yi, Cao Pei-Lin.The adsorption geometry of ethylene on the Ni (110) surface. Acta Physica Sinica, 2003, 52(1): 202-206.doi:10.7498/aps.52.202 |