Yajun Liu

41PUBLICATIONS
33CO-AUTHORS
Biocatalysis and enzyme technologyTheoretical quantum chemistryMarine and estuarine ecology (incl. marine ichthyology)Cell metabolismIntegrable systems (classical and quantum)
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Publications (41)

|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

|Nov 04, 2025
Chemical Mechanism of Bioluminescence in Diplocardia longa: A Combined Theoretical and Experimental Investigation.

Zhuo Quan, Lin Yang, Benzhao He

|Aug 25, 2025
Unraveling Ratiometric Chemiluminescence Probe: Theoretical Insights into pH Modulation, Luminescence Dynamics, and Energy Transfer Mechanisms.

Shuangqi Pi, Ya-Jun Liu

|Apr 21, 2025
Nonadiabatic Dynamics of Intersystem Crossings with the Symmetrical Quasi-Classical Dynamics Method Based on the Meyer-Miller Mapping Hamiltonian.

Haiyi Huang, Jiawei Peng, Zhenggang Lan

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Frequent Collaborators

6 joint publications

Zhuo Quan

5 joint publications

Mengchao Cui

3 joint publications

Deping Hu

3 joint publications

Ling Yue