Search Results

• Quantum Dynamics in Double-Well System with Polychromatic Perturbation Using Entangled Trajectory Molecular Dynamics Method

  Feng Xu, Lei Zhang, Yujun Zheng

  2016-07-01

  29339 2869 Pages:163-171

• Ultrafast Photodissociation Dynamics of $n$-Butyl Iodide in the A-Band

  Yu-Zhu Liu, Jin-You Long, Chao-Chao Qin, Ahmed Yousif Ghazal, Yan-Mei Wang, Bing Zhang

  2021-02-23

  27995 3175 Pages:99-108

• 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

  29573 3051 Pages:225-234

• Entangled Trajectory Molecular Dynamics Theory for the Collinear $H+H_2$ Reaction

  Lifei Wang, Feng Xu, Yujun Zheng

  2014-05-01

  29032 3514 Pages:21-25

• Time Evolution of Wigner Function in Dissipative Quantum Systems Using Entangled Trajectory Molecular Dynamics

  Lifei Wang, Yan Wang, Qin Zhang, Haibo Sun, Juan Zhao

  2016-07-01

  29291 2945 Pages:172-183

• The Properties of Glycophorin a Transmembrane Helices in Erythrocyte Asymmetric Membrane: A Molecular Dynamics Study

  Paruyr K. Hakobyan, Armen H. Poghosyan, Aram A. Shahinyan

  2011-02-01

  32051 2859 Pages:281-288

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

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

  2013-04-01

  27786 2869 Pages:367-374

• Sulfoxides as Response Elements for Fluorescent Chemosensors: Does It Work?

  Jun-Sheng Chen, Li Zhao, Yang Yang, Tian-Shu Chu

  2018-08-15

  29336 3196 Pages:1-10

• Thermoelastic Properties of Nickel from Molecular Dynamic Simulations

  Fen Luo, Xiang-Rong Chen, Ling-Cang Cai, Qiang Wu

  2018-08-15

  28237 3095 Pages:10-19

• Theoretical Exploration of the Interference Minimum in Molecular High-Order Harmonic Generation

  Liqing Li, Yuanyuan Xu, Xiangyang Miao

  2016-07-01

  28642 3297 Pages:1-10

• Revealing a New Mechanism Feature of F⁻+CH3Cl→Cl⁻+CH3F Reaction by Using Ab Initio Molecular Dynamics

  Yongfang Li, Dun-You Wang

  2018-07-10

  25656 2320 Pages:136-140

• Binding Difference of Inhibitors ACD and TDZ to A-FABP Revealed by Molecular Dynamics Simulations

  Fangfang Yan, Xinguo Liu, Shaolong Zhang, Jing Su, Qinggang Zhang, Jianzhong Chen

  2018-07-10

  28243 2730 Pages:97-104

• 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

  28831 2854 Pages:235-244

• A New Global Search for the Ground State Structure of Small Cluster: Application to S6

  Ming-Bang Lv, Yan Cheng, Yi Zhao, Min Fu

  2013-04-01

  27863 2747 Pages:357-366

• Properties and Phase Transitions of the Solid $\beta$-HMX: Different Force Fields

  Shuo Liu, Jing Chang, Dong-Qing Wei, Xiang-Rong Chen, Qing-Ming Zhang, Zi-Zheng Gong, Guang-Fu Ji, Yong-Xin Guo

  2012-03-01

  28621 3528 Pages:41-48

• Theoretical Studies of Femtosecond Photoionization for the $Na_2$ Molecule

  Di Yang, Shu-Lin Cong, Ke-Li Han

  2010-01-01

  26279 2627 Pages:215-223

• 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

  27002 2668 Pages:201-214

• Dynamics of Bipartite Vibrational Entanglement under the Inherent Decoherence Process in $H_2O$

  Yuanyuan Cheng, Liangjun Zhai

  2016-07-01

  27431 2537 Pages:213-224

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

  Xing Li

  2021-02-23

  29681 2837 Pages:121-128

• 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

  27596 2807 Pages:324-330

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

  Xiaoqin Han, Xiajie Xiao

  2022-06-15

  28322 2538 Pages:172-178