Yang Yang

23PUBLICATIONS
27CO-AUTHORS
Transition metal chemistryRadiation and matterTheoretical quantum chemistryNonlinear optics and spectroscopyDegenerate quantum gases and atom optics
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Publications (23)

|Oct 23, 2026
Electrochemical Deoxygenation of a TiIV-Oxo Complex to Enable Catalytic Reductive Oxygen-Atom Transfer from Organic Molecules.

|Jul 27, 2026
Assessing Constrained Nuclear-Electronic Orbital Theory for the Floppy CH5+ Ion: Geometry-Dependent Zero-Point Effects on Structure, Hydrogen Rearrangement Dynamics, and Simulated IR Spectra.

|Dec 29, 2025
Analytic polarizability and vibrational Raman spectra from constrained nuclear-electronic orbital density functional theory.

Haoran Chen, Yuzhe Zhang, Yiwen Wang

|Oct 18, 2025
Characterizing Infrared Spectra of OH-·(H2O)2 and OH-·(H2O)3 with Constrained Nuclear-Electronic Orbital Molecular Dynamics.

Zhe Liu, Yiwen Wang, Yuzhe Zhang

|Aug 12, 2025
Constrained Nuclear-Electronic Orbital Theory for Quantum Computation.

Tanner Culpitt, Zehua Chen, Fabijan Pavošević

|Aug 11, 2025
Periodic Constrained Nuclear-Electronic Orbital Density Functional Theory for Nuclear Quantum Effects: Method Development and Application to Hydrogen Adsorption on Pt(111).

Zehua Chen, Yang Yang

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Frequent Collaborators

13 joint publications

Zehua Chen

7 joint publications

Yuzhe Zhang

5 joint publications

Yiwen Wang

4 joint publications

Xi Xu