| Systematic evaluation of counterpoise correction in density functional theory M Gray, PE Bowling, JM Herbert Journal of Chemical Theory and Computation 18 (11), 6742-6756, 2022 | 34 | 2022 |
| Fragment-based calculations of enzymatic thermochemistry require dielectric boundary conditions PE Bowling, DR Broderick, JM Herbert The Journal of Physical Chemistry Letters 14 (16), 3826-3834, 2023 | 17 | 2023 |
| Comment on “Benchmarking basis sets for density functional theory thermochemistry calculations: Why unpolarized basis sets and the polarized 6-311G family should be avoided” M Gray, PE Bowling, JM Herbert The Journal of Physical Chemistry A 128 (36), 7739-7745, 2024 | 12 | 2024 |
| Eliminating imaginary vibrational frequencies in quantum-chemical cluster models of enzymatic active sites PE Bowling, S Dasgupta, JM Herbert Journal of Chemical Information and Modeling 64 (9), 3912-3922, 2024 | 7 | 2024 |
| Convergent Protocols for Computing Protein–Ligand Interaction Energies Using Fragment-Based Quantum Chemistry PE Bowling, DR Broderick, JM Herbert Journal of Chemical Theory and Computation, 2025 | 4 | 2025 |
| In defense of (certain) Pople-type basis sets M Gray, P Bowling, J Herbert | 4 | 2024 |
| Quick-and-Easy Validation of Protein–Ligand Binding Models Using Fragment-Based Semiempirical Quantum Chemistry PE Bowling, DR Broderick, JM Herbert Journal of Chemical Information and Modeling, 2025 | 3 | 2025 |
| Testing a heterogeneous polarizable continuum model against exact Poisson boundary conditions P Bowling, M Gray, S Paul, J Herbert | | 2024 |
| Quantum Mechanical Approaches for Large Protein Systems: Fragmentation, Confining Potentials, and Anisotropic Solvation P Bowling The Ohio State University, 2024 | | 2024 |
John M. HerbertProfessor of Chemistry & Biochemistry, Ohio State UniversityBestätigte E-Mail-Adresse bei chemistry.ohio-state.edu