Constrained Nuclear-Electronic Orbital Transition State Theory Using Energy Surfaces with Nuclear Quantum Effects

Zehua Chen, Jingjing Zheng, Donald G. Truhlar, and Yang Yang. Constrained Nuclear-Electronic Orbital Transition State Theory Using Energy Surfaces With Nuclear Quantum Effects. Vol. 21, no. 2, J. Chem. Theory Comput., 2025, pp. 590-04.