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Theoretical Study on the $K_{\alpha}$ Transition Properties of F-Like Ions
X. L. Wang, J. J. Wan, Y. J. Wang, C. Z. Dong
2010-01-01
DOI:10.4208/jams.013010.022010a
29042
2680
pp. 134-142
Theoretical Study of the Spectroscopic Constant and Anharmonic Force Field of $PO^-_2$
Pengfei Wang, Chonghai Qi, Meishan Wang, Chuanlu Yang, jing Li
2015-06-01
DOI:10.4208/jams.040315.050415a
27940
2561
pp. 92-102
Antioxidative Mechanism and Anisotropic Charge Transport Properties of Mangiferin: A Theoretical Study
Chunyuan Hou, Guoping Chai, Haijun Li
2018-08-15
DOI:10.4208/jams.122214.022515a
29125
3459
pp. 34-51
Theoretical Study on Spectroscopy and Molecular Constants of the Ground and Low-Lying Excited States of GeO Molecule
Duo-Hui Huang, Ming-Jie Wan, Jun-Shen Yang, Qi-Long Cao, Hua-Feng Luo, Fan-Hou Wang
2021-02-23
DOI:10.4208/jams.062114.082814a
28603
3134
pp. 301-310
Theoretical Study of Small Niobium Sulphide Clusters, $Nb_nS_m (m,n=1, 2)$
Saurabh Pandey, Ambrish Kumar Srivastava, Anoop Pandey, Neeraj Misra
2014-05-01
DOI:10.4208/jams.040214.062114a
29493
3018
pp. 231-237
A Computational Perspective of the Competitive Decomposition and Isomerization of $CH_3OCHFO$ Radical
Hari Ji Singh, Bhupesh Kumar Mishra
2013-04-01
DOI:10.4208/jams.062512.073012a
29333
2942
pp. 210-224
The Study on Ionization of Hydrogen Atoms in a Laser Field Considering Non-Dipole Approximation and Coulomb Corrections
Jian Li, Yining Huo, Fengcai Ma
2018-07-10
DOI:10.4208/jams.101317.121817a
27631
2715
pp. 110-112
Electron Impact Ionization Cross Sections of Allene and Propane Molecules at Low and High Energy Range
Neelam Tiwari, Yogesh Kumar, Leeza Jain, Manoj Kumar, Surekha Tomar
2012-03-01
DOI:10.4208/jams.060511.070911a
27829
3311
pp. 209-217
Theoretical Investigation on the Interactions Between HRnCCH and $X(X=N_2, O_2, H_2O, NH_3)$
Yu-Hua Han, Zheng-Wen Long, Bo Long, Chao-Yun Long, Shao-Hong Cai, Wei-Jun Zhang
2012-03-01
DOI:10.4208/jams.061411.071011a
26653
2613
pp. 227-235
Theoretical Study of Transition Metal Oxide Clusters ($TM_nO_m$) [(TM-Pd, Rh, Ru) and ($n, m =1, 2)$]
Apoorva Dwivedi, Neeraj Misra
2012-03-01
DOI:10.4208/jams.092511.102611a
28235
2870
pp. 297-307
Theoretical Study on the OH with Dimethyl Sulfide Reaction in the Presence of Water
Wen-Xue Mao, Zheng-Wen Long, Bo Long, Yi-Bo Wang, Chao-Yun Long, Shui-Jie Qin, Shi-Xiong Li
2012-03-01
DOI:10.4208/jams.091011.102411a
27515
2915
pp. 323-336
Theoretical Comparative Study on Hydrogen Storage of $BC_3$ and Carbon Nanotubes
Xiu-Ying Liu, Li-Ying Zhang, Xiao-Feng Li, Guang-Sheng Kang, Zhi-Qin Fan
2012-03-01
DOI:10.4208/jams.121011.011412a
26277
2475
pp. 367-374
Theoretical Study of the Stereo-Dynamics of the Reaction $H+CH→H_2+C(^1D)$
Xing Li
2021-02-23
DOI:10.4208/jams.032012.042812a
29883
2893
pp. 121-128
Structural, Vibrational and Electronic Properties of cis and trans Conformers of 4-Hydroxy-l-Proline: A Density Functional Approach
Ambrish K. Srivastava, Anoop K. Pandey, Shashi K. Gangwar, Neeraj Misra
2021-02-23
DOI:10.4208/jams.022214.041814a
29760
3080
pp. 279-288
Insight into Interaction Mechanism of the Inhibitor pDI6W with MDM2 Based on Molecular Dynamics
Jianzhong Chen, Zhi-Qiang Liang, Qing-Gang Zhang, Xiao-Yang Liu, Wei Wang, Jin-Qing Liu
2013-04-01
DOI:10.4208/jmas.063012.072912a
29774
3108
pp. 225-234
Solvent Effects on One- and Two-Photon Optical Properties of a Novel 2, 2':6', 2''-Terpyridine-Based Chromophore
Hong-Juan Ding, Jie Sun, Yu-Jin Zhang, Chuan-Kui Wang
2013-04-01
DOI:10.4208/jams.082012.091512a
29061
3226
pp. 349-356
Pressure Induced Phase Transition and Superconducting Properties of PtH and IrH: A First Principles Study
G. Sudhapriyanga, A. T. Asvinimeenaatci, R. Rajeswarapalanichamy, K. Iyakutti
2014-05-01
DOI:10.4208/jams.041313.062213a
28414
3367
pp. 64-80
Theoretical Study of the Two-Dimensional Momentum Spectra of H- Ion in the Intense Laser Fields
Chang-Ping Sun, Bao-Feng Cui
2014-05-01
DOI:10.4208/jams.090913.121413a
27441
2591
pp. 178-186
Ab Initio Pseudopotential Study of Cluster Growth of Coinage Metal Telluride Clusters $Au_nTe_m$
Q.-M. Surong, H. J. Yan, F.-M. Liu & Y. F. Zhao
2010-01-01
DOI:10.4208/jams.110209.112709a
27661
2860
pp. 152-161
Theoretical Study on the Interaction Potential and Bound States of the Ne-Beh Complex
Chun-Zao Zhang, Zhong-Quan Wang
2011-02-01
DOI:10.4208/jams.102110.111410a
25716
2467
pp. 247-254
The Non-Adiabatic Stereodynamics Study for the Reaction of $Na(3s)+H_2→NaH (X^1Σ^+)+H$
Dahai Cheng, Jiuchuang Yuan, Maodu Chen
2016-07-01
DOI:10.4208/jams.021316.042016a
27929
2603
pp. 77-86
Theoretical Study on Stereodynamics of $H + NeH^+ (v=0, j=0) → NeH^ +H$ Reaction
Zhenhua Gao, Meishan Wang, Zhen Wang
2016-07-01
DOI:10.4208/jams.030315.041116a
27624
2447
pp. 104-114
Non-Sequential Double Ionization of $CO_2$ Molecule and Kr Atom in Linearly Polarized Laser Fields
Kaili Song, Yanrong Tian, Shuai Ben, Tongtong Xu, Hongdan Zhang, Xue-Shen Liu, Jing Guo
2017-08-01
DOI:10.4208/jams.050817.072517a
30884
3496
pp. 1-4
External Electric Field-Dependent Photoinduced Electron Transfer of Oligonaphthofurans-PC70BM in BJH Solar Cell
Li Yang, Jing Wang, Meixia Zhang, Meiyu Zhao, Yumei Dai, Peng Song
2017-08-01
DOI:10.4208/jams.072817.092017a
28348
2755
pp. 55-62
The Mechanism Research for the Surface Plasmon-Catalysed Reaction of the Mercapto Group Substituted Benzoic Acid
Jiyu Wang, Jing Wang, Caiqing Ma, Meixia Zhang, Yong Ding, Peng Song, Fengcai Ma
2017-08-01
DOI:10.4208/jams.071617.090517a
28464
2958
pp. 70-74
Theoretical and Experimental Study of Surface-Enhanced Raman Scattering of 4,4'-Bipyridine Molecule on Graphene
Yong Ma, Shengyu Wang, Zhen Li, Wei Hu, Shouzhen Jiang, Xiuneng Song, Chuankui Wang
2018-07-10
DOI:10.4208/jams.112317.122817a
27800
2665
pp. 127-130
Theoretical Study on Chemospecificity of CF3SO3CF2CF3 + F− Reactions
Li Guo, Yulong Xu
2018-07-10
DOI:10.4208/jams.102217.121217a
26685
2379
pp. 146-151
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