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Author

Xue-Song Xu

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Aug 2026

Unraveling the Excited State Proton Transfer Mechanism of Salicylamide: A TD ‐ DFT Study

Excited‐state proton transfer (ESPT) plays a crucial role in photochemical processes, serving as an important mechanism for modulating molecular structures and fluorescence behaviors. In this study, the ESPT mechanism of salicylamide (SAM) was systematically investigated in the gas phase, aqueous solution, and ethano...

Xiaohao Jiang, Yin-Hua Ma, Xue-Song Xu et al. · 0 citations
Open access Sep 2026

Charge transfer characteristics in one- and two-photon absorption of dibenzothiophene derivatives: roles of pedal rotation and donor alkyl chain length

Dibenzothiophene (DBT)-based derivatives have attracted considerable interest for their excellent nonlinear optical (NLO) properties. However, the specific roles of configurational isomerization and alkyl chain length variation in modulating their NLO properties remain insufficiently understood. Herein, we employ densi...

Jiu-Qi Yang, Yao-Chuan Wang, Hao-Ran Ni et al. · 0 citations

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