Articles

• Preface to the Guo-Zhong He Festschrift

  • Preview
  • Full PDF

  61906 2814

• Questionable Excited-State H-Atoms Transfer Mechanism for 7-Hydroxyquinoline•(NH$_3$)$_3$ Cluster

  Yu‐Hui Liu, Sheng‐Cheng Lan

  1-7

  https://doi.org/10.4208/cicc.2013.v1.n1.1

  • Preview
  • Full PDF

  46327 2994

• Computational Study of the Photolysis of Salicylic Acid in the α C-O Bond Fission

  Can‐Hua Zhou, Zhe Shi, Jing‐Wei Guo, Yu‐Qi Jin

  8-14

  https://doi.org/10.4208/cicc.2013.v1.n1.2

  • Preview
  • Full PDF

  46214 3072

• Quasi-Classical Trajectory Study of the Effects of Reactant Ro-Vibrational Excitation on the H+LiH+→Li++H2 Reaction

  Tiangang Yang, Jiuchuang Yuan, Dahai Cheng, Maodu Chen

  15-26

  https://doi.org/10.4208/cicc.2013.v1.n1.3

  • Preview
  • Full PDF

  46834 3053

• First-Principles Investigation of Li+-Doped Conjugated Microporous Polymer as a Potential Hydrogen Storage Medium

  Rui‐Feng Lu, An Li, Wei‐Qiao Deng

  27-39

  https://doi.org/10.4208/cicc.2013.v1.n1.4

  • Preview
  • Full PDF

  46321 2970

• An Investigation of Electronic Nonadiabaticity in the D+HBr and H+DBr Reaction on New Diabatic Potential Energy Surfaces

  Ai‐Jie Zhang, Jian‐Feng Jia, Hai‐Shun Wu

  40-51

  https://doi.org/10.4208/cicc.2013.v1.n1.5%20

  • Preview
  • Full PDF

  46494 2900

• Role of Excited States in Asymmetric Harmonic Emission

  Liqiang Feng, Tianshu Chu

  52-62

  https://doi.org/10.4208/cicc.2013.v1.n1.6

  • Preview
  • Full PDF

  46464 2915

• Five New Ab Initio Potential Energy Surfaces for the O(3P,1D)+H2 System

  Pei‐Yu Zhang, Shuang‐Jiang Lv

  63-71

  https://doi.org/10.4208/cicc.2013.v1.n1.7

  • Preview
  • Full PDF

  45979 2844

• DFT Study of Binding Energies Between Acetohydroxyacid Synthase and Its Sulfonylurea Inhibitors: An Application of Quantum Pseudoreceptor Model

  Miao Chen, Haipeng Yang, Xiaoxiong Lin, Yantao Chen, Mingliang Wang, Jianhong Liu

  72-87

  https://doi.org/10.4208/cicc.2013.v1.n1.8

  • Preview
  • Full PDF

  45836 2781

• Time-Dependent Density Functional Theory Study on a Fluorescent Chemosensor Based on C–H•••F Hydrogen-Bond Interaction

  Guang-Yue Li, Yue-Hua Li, Hang Zhang, Guang-Hua Cui

  88-98

  https://doi.org/10.4208/cicc.2013.v1.n1.9

  • Preview
  • Full PDF

  45973 2949

• Collision Energies Effect on Cross Sections and Product Alignments for the D+DS Reaction

  Yahui Guo, Fengyun Zhang, Hongzhang Ma

  99-108

  https://doi.org/10.4208/cicc.2013.v1.n1.10

  • Preview
  • Full PDF

  46135 3164