Articles

• A Post-Processing Program for ReaxFF Simulation of Chemical Structural Model of Coal

  Hang Zhang, Guang-Yue Li, Feng Wang & Ying-Hua Liang

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  37826 3724 Pages:1-8

• The Velocity Gauge KFR Ionization Rates of H(2px), H(2py) and H(2pz) Atom in the Linear Polarized Laser Field

  Kun Fang, Jinfeng Zhao, Yongqing Li & Fengcai Ma

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  37493 3599 Pages:9-21

• DFT Study of the Catalytic Mechanism for Urethane Formation in the Presence of Basic Catalyst 1,4-Diazabicyclo[2.2.2]Octane

  Zhenhao Wen, Wei Hu, Xuhui Chi, Xiaoxuan Wang, Deyu Tian, Mingliang Wang, Jianhong Liu, Xingang Ma & Aimin Pang

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  27345 4448 Pages:22-35

• Quantum Wave Packet Dynamics of the N(2D)+H2 Reaction

  Ezman Karabulut, Emine Aslan & Niyazi Bulut

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  25454 3066 Pages:36-46