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Photochemistry and Photobiology|July 31, 2018
Photoluminescence Rainbow from Coelenteramide-A Theoretical StudyMeng Gao, Ya-Jun LiuPhotochemical & Photobiological Sciences : Official Journal of the European Photochemistry Association and the European Society for Photobiology|June 6, 2019
Tuning the fluorescence of calcium-discharged photoprotein obelin via mutating at the His22-Phe88-Trp92 triad - a QM/MM studyMeng Gao, Bo-Wen Ding, Ya-Jun LiuZhongguo Shi Yan Xue Ye Xue Za Zhi|August 17, 2019
[Performance Verification of HIV Test in Blood Station Laboratory]Ya-Jun Liu, Jun ZhouJournal of Chemical Theory and Computation|February 5, 2019
Two Conical Intersections Control Luminol ChemiluminescenceLing Yue, Ya-Jun LiuJournal of Chemical Theory and Computation|May 18, 2021
Three S0/S1 Conical Intersections Control Electron-Transfer-Catalyzed Chemiluminescence of 1,2-DioxetanedioneLing Yue, Ya-Jun LiuChemistry (Weinheim an Der Bergstrasse, Germany)|September 27, 2016
Bioluminophore and Flavin Mononucleotide Fluorescence Quenching of Bacterial Bioluminescence-A Theoretical StudyYanling Luo, Ya-Jun LiuPhysical Chemistry Chemical Physics : PCCP|October 9, 2009
Multireference calculations of the fluorescence, phosphorescence and photodissociation of p-chlorotolueneYa-Jun Liu, Sten LunellThe Journal of Physical Chemistry. B|May 27, 2026
Role of the Luciferase C-Terminal Domain in Firefly BioluminescenceZhuo Quan, Ya-Jun LiuThe Journal of Physical Chemistry. A|May 7, 2019
Theoretical Insight into a Nonadiabatic Proton-Coupled Electron Transfer Mechanism of Reduced Flavin OxygenationYanling Luo, Ya-Jun LiuChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|August 25, 2025
Unraveling Ratiometric Chemiluminescence Probe: Theoretical Insights into pH Modulation, Luminescence Dynamics, and Energy Transfer MechanismsShuangqi Pi, Ya-Jun LiuPageof 124