Articles

• Preface

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  223 145 Pages:i-iv

• Retraction Notice

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  230 53

• Theoretical Study of Stereodynamics for the $S+H_2 \ (υ=0$-$2, j=0)→ SH+H$ Reaction

  Yanlei Liu, Hongsheng Zhai, Yufang Liu

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  30041 2996 Pages:155-163

• The Weakening or Enhancing of $N$-$H\cdots O$ Intermolecular Hydrogen Bond in Different Solvents Revealed by Density Functional Calculations

  Donglin Li, Yufang Liu

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  28884 2947 Pages:164-171

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

  Xiaoqin Han, Xiajie Xiao

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  28442 2588 Pages:172-178

• A Theoretical Study about Three Organic Semiconductor Based on Oligothiophenes

  Yarui Shi, Huiling Wei

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  28087 2743 Pages:179-189

• Elastic Low-Energy Electron Collisions with Methylamine

  Kedong Wang, Ju Meng

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  27993 2661 Pages:190-196

• Ab Initio Calculation on the Low-Lying Excited States of BSe(+) Cation Including Spin-Orbit Coupling

  Siyuan Liu, Hongsheng Zhai

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  27674 2519 Pages:197-205

• Investigating Spectral Red Shift Mechanism of Fluorescent Chromophores Using Time-Dependent Density Functional Theory

  Pei-Li Zhao, Huan Lou, Jing-Bin Xu, Jian Song

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  27656 2839 Pages:206-214

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

  Dapeng Yang, Rui Zheng, Yusheng Wang, Jian Lv

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  27672 2471 Pages:215-224