| Nuclear–electronic orbital quantum mechanical/molecular mechanical real-time dynamics M Chow, TE Li, S Hammes-Schiffer The journal of physical chemistry letters 14 (43), 9556-9562, 2023 | 10 | 2023 |
| Simultaneous Optimization of Nuclear–Electronic Orbitals A Liu, M Chow, A Wildman, MJ Frisch, S Hammes-Schiffer, X Li The Journal of Physical Chemistry A 126 (39), 7033-7039, 2022 | 10 | 2022 |
| Nuclear–electronic orbital QM/MM approach: Geometry optimizations and molecular dynamics M Chow, E Lambros, X Li, S Hammes-Schiffer Journal of Chemical Theory and Computation 19 (13), 3839-3848, 2023 | 9 | 2023 |
| Solvent Induced Proton Polarization within the Nuclear− Electronic Orbital Framework E Lambros, B Link, M Chow, S Hammes-Schiffer, X Li The Journal of Physical Chemistry Letters 14 (12), 2990-2995, 2023 | 4 | 2023 |
| Assessing implicit and explicit polarizable solvation models for nuclear–electronic orbital systems: Quantum proton polarization and solvation energetics E Lambros, B Link, M Chow, F Lipparini, S Hammes-Schiffer, X Li The Journal of Physical Chemistry A 127 (44), 9322-9333, 2023 | 1 | 2023 |
| Nuclear Quantum Effects in Quantum Mechanical/Molecular Mechanical Free Energy Simulations of Ribonucleotide Reductase M Chow, CR Reinhardt, S Hammes-Schiffer Journal of the American Chemical Society 146 (48), 33258-33264, 2024 | | 2024 |
