Yiwen Wang, Zehua Chen, Yuzhe Zhang, Edwin L. Sibert, III, and Yang Yang. 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. Vol. 130, J. Phys. Chem. A, 2026, pp. 5978-92.
John F. Stanton Memorial Issue