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Ning-Bo Zhang

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Open access Jul 2026

Competing Photoisomerization and Excited-State Intramolecular Proton Transfer in a Visible-Light-Driven Salicylidene Schiff Base Functionalized Molecular Motor: Insights from Ultrafast Nonadiabatic Dynamics Simulations

We investigate the ultrafast dynamics of a visible-light-driven salicylaldehyde Schiff base-functionalized molecular motor using non-adiabatic molecular dynamics (NAMD) at the orthogonalization-corrected method 2 and the multireference configuration interaction (OM2/MRCI) level. Results reveal a dynamic competitive int...

Xiao-Juan Pang, Yue Yan, Xue-Yan Cui et al. · 0 citations

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