Yuan Xue

5PUBLICATIONS
9CO-AUTHORS
Polymerisation mechanismsMetal cluster chemistryBiologically active moleculesHydrometallurgyTheoretical quantum chemistry
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Publications (5)

|Jun 16, 2026
Molecular insights into the effect of small molecule impurities in the ring-opening polymerization of [PCl2N]3 using quantum mechanical analysis.

|Dec 17, 2025
Concerted proton transfer in homogeneous and heterogeneous cyclic hydrogen-bonded clusters of H2O, HF, and HCl.

Max R Tucker, Yuan Xue, Nathan R Speake

|Apr 08, 2025
Systematic characterization of the homogeneous and heterogeneous hydrogen halide dimers.

Yuan Xue, Gregory S Tschumper

|Feb 26, 2025
Revisiting the Mechanistic Pathway of Gas-Phase Reactions in InN MOVPE Through DFT Calculations.

Xiaokun He, Nan Xu, Yuan Xue

|Apr 15, 2024
Systematic analysis of electronic barrier heights and widths for concerted proton transfer in cyclic hydrogen bonded clusters: (HF), (HCl) and (H2O) where n = 3, 4, 5.

Yuan Xue, Thomas More Sexton, Johnny Yang

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Frequent Collaborators

3 joint publications

Gregory S Tschumper

1 joint publications

Thomas More Sexton

1 joint publications

Johnny Yang

1 joint publications

Xiaokun He