Yajun Liu

44PUBLICATIONS
34CO-AUTHORS
Theoretical quantum chemistryMedical devicesChemical and thermal processes in energy and combustionBiocatalysis and enzyme technologyMarine and estuarine ecology (incl. marine ichthyology)
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Publications (44)

|Oct 23, 2026
Resolving the S0/S1 Crossing Topology for the Excited-State Origin of Watasenia scintillans Bioluminescence.

|Oct 23, 2026
Theoretical Investigation on the Mechanism of Alzheimer's Disease Detection through Firefly Bioluminescence.

|Sep 18, 2026
Theoretical study on the catalytic mechanism of oxyluciferin hydrolysis by luciferin-regenerating enzyme in firefly bioluminescence substrate regeneration.

|May 27, 2026
Role of the Luciferase C-Terminal Domain in Firefly Bioluminescence.

|Dec 17, 2025
Combined influence of the QM methods, active space size, Franck-Condon approximation, Herzberg-Teller effect and Duschinsky effect on vibrationally resolved electronic spectra: insights from firefly oxyluciferin.

Shuangqi Pi, Cheng Peng, Haibo Ma

|Dec 12, 2025
Nonadiabatic Dynamics of the Molecular Tully Models with the Mixed-Reference Spin-Flip Time-Dependent Density Functional Theory.

Haiyi Huang, Juanjuan Zhang, Deping Hu

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Frequent Collaborators

6 joint publications

Zhuo Quan

5 joint publications

Mengchao Cui

4 joint publications

Deping Hu

3 joint publications

Ling Yue