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

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  37082 3720 Pages:1-10

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

  Dan Zhao, Pei Feng, Keli Han & Xiaofang Chen

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  37035 3509 Pages:11-17

• 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

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  25147 3223 Pages:18-33