Search Results

• Enhancing Optoelectronic Properties of Quasi-2D Ruddlesden–Popper Perovskites via Pseudo–Halogen Doping: A First–Principles Study on Cs₂Pb(SCN)₂Br₂

  Peng Xiong, Jia-Ming Li, Zhi-Mi Zhang, Zhong-Yuan Wang, Jian Wu, Chuan-Jia Tong

  2025-09-05

  265 123 Pages:81-87 Open-access

• Theoretical Treatment of Ultrafast Decay of Excited Vibronic States in the Improved Adiabatic Approximation

  Jian Lei & Rongxing He

  2022-05-18

  28019 2030 Pages:110-120

• Sequence Dependent Photochemistry of Adenine-Thymine and Thymine-Adenine Dinucleotides

  Jian Luo, Yan Liu & Songqiu Yang

  2017-05-01

  26397 3169 Pages:10-18

• Underestimation of Charge-Transfer Emission Energy Calculated by State-Specific Polarization Continuum Model

  Jian Luo & Songqiu Yang

  2016-04-01

  24142 1935 Pages:73-77

• 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

  2018-08-15

  36956 3649 Pages:1-10

• A TD-DFT Study on Fluorescent Chemosensor for Fluoride Anion Based on Dipyrrolyl Derivatives

  Cai-Yun Lv, Li-Juan Sun, Bing-Qiang Wang, Cai-Yun Zhang & Jian Zhang

  2013-01-01

  25372 1785 Pages:282-296

• The Stability of Substituted Benzylpentazoles

  Xiao-Fang Chen, Jian-Hua Bu, Tao Yu, Wei-Peng Lai & Zhong-Xue Ge

  2013-01-01

  29464 2120 Pages:118-123

• 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

  2013-02-06

  46498 2905 Pages:40-51