Articles

• Theoretical Confirmation of the Excited State Intramolecular Proton Transfer and Twisting Process of 1-Hydroxy-2-Acetonaphthone in Solution: A TDDFT Study

  Dapeng Yang, Rui Zheng, Yusheng Wang, Jian Lv

  1-10

  https://doi.org/10.4208/cicc.2015.v3.n1.1%20

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  36950 3645

• A Theoretical Investigation of the Adsorption Activity of DNL-6 by DFT Method

  Dan Zhao, Pei Feng, Keli Han & Xiaofang Chen

  11-17

  https://doi.org/10.4208/cicc.2015.v3.n1.2

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  36909 3441

• Change in Energy of Intermolecular Hydrogen Bonds Upon Excitation of Coumarin 120 in Water: A Combined Time-dependent Density Functional Theory/Effective Fragment Potential Study

  Mariyappa Ramegowda

  18-33

  https://doi.org/10.4208/cicc.2015.v3.n1.3

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  25019 3131