Constrained Nuclear-Electronic Orbital QM/MM Approach for Simulating Complex Systems with Quantum Nuclear Delocalization Effects Incorporated
Xianyuan Zhao, Zehua Chen, and Yang Yang. Constrained Nuclear-Electronic Orbital QM/MM Approach for Simulating Complex Systems With Quantum Nuclear Delocalization Effects Incorporated. Vol. 5, no. 4, Chem. Phys. Rev., 2024, p. 041401.
