Xinyu Song

19PUBLICATIONS

7CO-AUTHORS

Theoretical quantum chemistryChemical and thermal processes in energy and combustionTransition metal chemistryMetal organic frameworksOptical properties of materials

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Publications (19)

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|Jul 07, 2026

Predicting Excited-State Energies from Ground-State Descriptors in Thermally Fluctuating π-Conjugated Molecules.

|Jul 07, 2026

Synergistic dual steric-electronic effects of bay-substituents on singlet fission in perylene diimide derivatives.

|Mar 25, 2026

Harnessing the charge-transfer-to-solvent state of aqueous triiodide: A strategy to mitigate I2 trapping and enhance hydrated electron yield.

Ruisi Chang, Hui Dong, Xiufang Song

|Mar 16, 2026

Orbital Topology Overcomes Energetic Constraints: Conjugation Expansion Breaks the Inverse Relationship between SOMO Splitting and Spin Coupling for Giant Ferromagnetic Coupling in Organic Diradicals.

Xiangyun Zheng, Zhiru Zhang, Xinyu Song

|Feb 02, 2026

Cross-plane magnetic coupling in carbon-based diradicals with one-electron σ-bond regulated by conjugative substituent engineering.

Zhuxiao Li, Zhiru Zhang, Jianxiang Xin

|Jan 07, 2026

Polyene Bond Resonances Drive Intramolecular Singlet Fission in Diphenylhexatriene Dimers.

Xiaotong Xu, Wenjing Fan, Lijuan Xue

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Frequent Collaborators

19 joint publications

Yuxiang Bu

Shibo Cheng

Gang Lu

Fengying Zhang

Haibei Huang

Hui Dong

Xiufang Song

Frequent Collaborators

19 joint publications

Yuxiang Bu

2 joint publications

Shibo Cheng

2 joint publications

Gang Lu

1 joint publications

Fengying Zhang