Search Results

• 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

  28943 2645 Pages: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

  27839 2519 Pages:92-102

• Antioxidative Mechanism and Anisotropic Charge Transport Properties of Mangiferin: A Theoretical Study

  Chunyuan Hou, Guoping Chai, Haijun Li

  2018-08-15

  29026 3390 Pages: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

  28499 3104 Pages: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

  29396 2988 Pages:231-237

• A Computational Perspective of the Competitive Decomposition and Isomerization of $CH_3OCHFO$ Radical

  Hari Ji Singh, Bhupesh Kumar Mishra

  2013-04-01

  29233 2915 Pages: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

  27529 2678 Pages: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

  27732 3283 Pages: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

  26559 2583 Pages: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

  28131 2839 Pages: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

  27423 2880 Pages: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

  26177 2440 Pages:367-374

• Theoretical Study of the Stereo-Dynamics of the Reaction $H+CH→H_2+C(^1D)$

  Xing Li

  2021-02-23

  29797 2859 Pages: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

  29667 3046 Pages: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

  29672 3077 Pages: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

  28955 3200 Pages: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

  28331 3275 Pages: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

  27346 2559 Pages: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

  27554 2818 Pages: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

  25622 2436 Pages: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

  27844 2578 Pages: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

  27535 2417 Pages: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

  30782 3423 Pages: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

  28251 2719 Pages: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

  28348 2918 Pages: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

  27696 2621 Pages:127-130

• Theoretical Study on Chemospecificity of CF3SO3CF2CF3 + F− Reactions

  Li Guo, Yulong Xu

  2018-07-10

  26578 2331 Pages:146-151