Search Results

• Calculation of the Van der Waals Potential of Argon Dimer Using a Modified Tang-Toennies Model

  J. F. Peng, P. Li, J. Ren, L. W. Qiao, K. T. Tang

  2011-02-01

  35601 3021 Pages:289-293

• The Potential Energy Curves and Spectral Constants of $Si_2N$

  Xiaoqin Han, Xiajie Xiao

  2022-06-15

  28526 2619 Pages:172-178

• The Effect of External Electric Field on AlH Radical

  Dong-Lan Wu, Bin Tan, Hui-Jun Wan, Yu-Feng Wen, An-Dong Xie

  2021-02-23

  27796 2890 Pages:324-330

• An EAM Potential for the Dynamical Simulation of Ni-Al Alloys

  Jian-Hua Zhang, Shun-Qing Wu, Yu-Hua Wen & Zi-Zhong Zhu

  2010-01-01

  26189 2572 Pages:253-261

• Elastic Electron Scattering by Lead Atom in the Energy Range from 10 to 100 ev

  C. V. Pandya, K. L. Baluja

  2012-03-01

  27654 2784 Pages:279-284

• Influence of Homogeneous Weak Electric Field on the Chemical Potential and Heat Capacity of Charged Fermion System

  Yan-Qing Sun, Shu-Ming Long, Chao-Jun Huang, Ben-Zhuo Lou

  2018-08-15

  27733 3449 Pages:43-50

• An Ab Initio Study of the Ground and Low-Lying Excited States of $LiBe^+$

  Yang You, Chuan-Lu Yang, Mei-Shan Wang, Xiao-Guang Ma, Wen-Wang Liu

  2015-06-01

  29331 2676 Pages:63-71

• Accurate Ab Initio Potential Energy Curve of $X^2\Pi$ State and High-Temperature $A^2Δ$-$ X^2\Pi$ Fluorescence Spectra for CH Radical

  Jing Guo, Bing Yan, De-Ling Zeng

  2021-02-23

  27673 2741 Pages:183-192

• Excited State Process of a Novel NIR-BODI Molecule in Toluene and Acetonitrile Solvents: A Theoretical Study

  Jia Li, Meixia Zhang, Can Du, Peng Song & Xiaodong Li

  2018-07-10

  27959 2837 Pages:162-168

• Theoretical Raman and IR Spectra of Tegafur and Comparison of Molecular Electrostatic Potential Surfaces, Polarizability and Hyperpolarizability of Tegafur with 5-Fluoro-Uracil by Density Functional Theory

  Onkar Prasad, Leena Sinha & Naveen Kumar

  2010-01-01

  27216 2759 Pages:201-214

• Theoretical Study on the Interaction Potential and Bound States of the Ne-Beh Complex

  Chun-Zao Zhang, Zhong-Quan Wang

  2011-02-01

  25716 2467 Pages:247-254

• Elastic Scattering of Positron by Gold Atom

  Kapil K. Sharma, Neerja Singh, R. P. Vats

  2011-02-01

  33547 2800 Pages:294-304

• Configurational Prediction of CYP2A6 Substrate Would Guide the Screening of Potential Substrate

  Huizi Man & Yan Jia

  2019-04-09

  30607 2906 Pages:46-52

• Accurate Potential Energy Function and Spectroscopic Properties of NS (X2Π) via Extrapolation to the Complete Basis Set Limit

  L. Guo, H.Y. Ma, W. Shi, L. L. Zhang, Y. Z. Song, Q. Guo, Y. Q. Li

  2017-08-01

  27375 2616 Pages:88-96

• Accurate Ab Initio-Based Potential Energy Curve and Spectroscopic Properties of NO(X2Π) via Extrapolation to the Complete Basis Set Limit

  H.Y. Ma , L. Guo , Q. Guo & Y. Q. Li

  2017-08-01

  27878 2805 Pages:75-83

• Bound State Solutions of the $s$-Wave Klein-Gordon Equation with Position Dependent Mass for Exponential Potential

  Tong-Qing Dai

  2011-02-01

  33215 2835 Pages:360-367

• An Investigation of Excited-State Intramolecular Proton Transfer Mechanism of New Chromophore

  Yanling Cui, Pengyu Li, Jing Wang, Peng Song, Lixin Xia

  2018-08-15

  29624 3063 Pages:23-33

• Structural Properties of $Rh_n (n=2$∼$100)$ Clusters by Using Gupta Potential with the Simulation of Quenching Method

  Mailitan Kailaimu, Chun-Li Li, Hai-Ming Duan

  2013-04-01

  29035 2903 Pages:235-244

• The Polaron Effects and Temperature Dependence of the Strong-Coupling Exciton in Slab of Polar Crystals

  Hong-Tao Yang, Wen-Hui Ji, Huhemandula, Wen-Tao Hu

  2013-04-01

  28076 2871 Pages:59-63

• ESIPT of 1-[N-(2-Pyridyl) Aminomethylidene]-2(1H)-Naphtalenone: A TDDFT Study

  Dapeng Yang, Rui Zheng, Yusheng Wang, Jian Lv

  2022-06-15

  27756 2499 Pages:215-224

• The Effect of Temperatures and Magnetic Field on Relativistic Fermi Gas

  Fu-Dian Men, Hai-Tang Wang, Wei Shen, Xiao-Gang He

  2021-02-23

  28535 3006 Pages:147-154

• Bound State Solutions of Exponential-Coshine Screened Coulomb Plus Morse Potential

  Akpan N. Ikot, Oladunjoye A. Awoga, Benedict I. Ita

  2012-03-01

  28380 2963 Pages:285-296

• Quantum Chemical Studies on NiO Nanoclusters

  S. Sriram, R. Chandiramouli, D. Balamurugan, K. Ravichandran, A. Thayumanavan

  2013-04-01

  29291 3051 Pages:336-348

• Molecular Dynamical Simulations of the Structural and Melting Properties of $Al_{196}$ Cluster

  Chun-Li Li, Mailitan Kailaimu, Hai-Ming Duan

  2013-04-01

  27986 2945 Pages:367-374

• Relativistic Thermodynamic Properties of Interacting Fermi Gas in a Strong Magnetic Field

  Hai-Tang Wang, Fu-Dian Men, Xin-Long Chen

  2014-05-01

  29513 4430 Pages:33-43

• An Potential Energy Surface for the $O+O_2$ Reaction Using Neural Network Approach

  Wentao Li & Zhigang Sun

  2019-01-30

  29646 2857 Pages:25-27

• Modulating N-H-Based Excited-State Intramolecular Proton Transfer by Different Electron-Donating/Withdrawing Substituents in 2-(2’-Aminophenyl)Benzothiazole Compounds

  Dapeng Yang, Guang Yang, Min Jia, Xiaoyan Song, Qiaoli Zhang & Tianjie Zhang

  2018-10-04

  30056 3487 Pages:17-20