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  • Modulating N-H-Based Excited-State Intramolecular Proton Transfer by Different Electron-Donating/Withdrawing Substituents in 2-(2’-Aminophenyl)Benzothiazole Compounds

    Dapeng Yang, Guang Yang, Min Jia, Xiaoyan Song, Qiaoli Zhang & Tianjie Zhang
    2018-10-04
    29866 3330 Pages:17-20
  • Theoretical Insights into the Excited State Hydrogen Bond and ESIPT Reaction for 2-Amino-3-(2’-Benzoxazolyl)Quinoline and 2-Amino-3-(2’-Benzothiazolyl)-Quinoline

    Qiaoli Zhang, Guang Yang, Xiaoyan Song, Jinfeng Zhao & Dapeng Yang
    2018-10-04
    30395 3501 Pages:7-12
  • Effect of the Initial Rotational and Vibrational State on the Stereodynamics of $N(^4S)+O_2(X^3\sum^-_g)\rightarrow O(^3P)+NO(X^2\Pi)$ Reaction

    Hai-Liang Chen, Zhi-Hong Zhang, Chuan-Lu Yang, Mei-Shan Wang, Xiao-Guang Ma
    2015-06-01
    28218 2478 Pages:72-82
  • An Ab Initio Study of the Ground and Low-Lying Excited States of $LiBe^+$

    Yang You, Chuan-Lu Yang, Mei-Shan Wang, Xiao-Guang Ma, Wen-Wang Liu
    2015-06-01
    29118 2592 Pages:63-71
  • Photoinduced Reaction of Excited Triplet 9,10-Anthraquinone Quenched by Antioxidant Vitamin C

    Sha Chen, Xian-Jun Cao, Yi Luo, Guang-Lai Zhu, Xin-Sheng Xu
    2014-05-01
    28681 2461 Pages:238-246
  • First-Principles Calculations of the Electronic Structures and Optical Properties of Mg- and Sr-Doped $CaF_2$

    Fang Peng, Yu-Feng Peng, Guang Zheng, Cong-Cong Zhai
    2014-05-01
    29021 2774 Pages:110-122
  • Isolated Sub-50 Attosecond Pulse Generation in the Combined Mid-Infrared Laser Field

    Gang-Tai Zhang, Ting-Ting Bai, Mei-Guang Zhang
    2013-04-01
    28235 2797 Pages:251-260
  • Theoretical Comparative Study on Hydrogen Storage of $BC_3$ and Carbon Nanotubes

    Xiu-Ying Liu, Li-Ying Zhang, Xiao-Feng Li, Guang-Sheng Kang, Zhi-Qin Fan
    2012-03-01
    26071 2406 Pages:367-374
  • Tuning of Plasmon Resonance Through Gold Slit Arrays with Y-Shaped Channels

    Jin-Jun Wu, Hong-Jian Li, Yong Zeng, Xiao Peng, Zhi-Min Liu, Guang-Tao Cao
    2012-03-01
    26564 2576 Pages:344-352
  • 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
  • First-Principles Study on the Structural and Electronic Properties of Double $N$ Atoms Doped-Rutile $TiO_2$

    Zhong-Liang Zeng, Guang Zheng, Xi-Cheng Wang, Kai-Hua He, Qi-Li Chen, Li Yu, Qing-Bo Wang
    2010-01-01
    28009 2455 Pages:177-184
  • Elastic and Optical Properties of $CeO_2$ via First-Principles Calculations

    Li-Li Sun, Yan Cheng & Guang-Fu Ji
    2010-01-01
    28346 3354 Pages:143-151
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