Vol. 1 No. 1 (2013)

Articles

Preface to the Guo-Zhong He Festschrift
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62037 2889
Questionable Excited-State H-Atoms Transfer Mechanism for 7-Hydroxyquinoline•(NH$_3$)$_3$ Cluster

Yu‐Hui Liu, Sheng‐Cheng Lan
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46437 3059 Pages:1-7
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
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46338 3148 Pages:8-14
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
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46949 3113 Pages:15-26
First-Principles Investigation of Li+-Doped Conjugated Microporous Polymer as a Potential Hydrogen Storage Medium

Rui‐Feng Lu, An Li, Wei‐Qiao Deng
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46436 3022 Pages:27-39
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
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46634 3010 Pages:40-51
Role of Excited States in Asymmetric Harmonic Emission

Liqiang Feng, Tianshu Chu
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46591 2977 Pages:52-62
Five New Ab Initio Potential Energy Surfaces for the O(3P,1D)+H2 System

Pei‐Yu Zhang, Shuang‐Jiang Lv
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46106 2923 Pages:63-71
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
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45959 2834 Pages:72-87
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
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46110 3038 Pages:88-98
Collision Energies Effect on Cross Sections and Product Alignments for the D+DS Reaction

Yahui Guo, Fengyun Zhang, Hongzhang Ma
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46260 3225 Pages:99-108