Describing proton transfer modes in shared proton systems with constrained nuclear–electronic orbital methods

Yuzhe Zhang, Xi Xu, Nan Yang, Zehua Chen, and Yang Yang. Describing Proton Transfer Modes in Shared Proton Systems With Constrained nuclear–electronic Orbital Methods. Vol. 158, no. 23, J. Chem. Phys., 2023, p. 231101.

Editor’s pick, and part of the 2023 JCP Emerging Investigators Special Collection

Read more Document