| Scalable generalized screening for high-order terms in the many-body expansion: Algorithm, open-source implementation, and demonstration DR Broderick, JM Herbert The Journal of Chemical Physics 159 (17), 2023 | 21 | 2023 |
| 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 | 18 | 2023 |
| Delocalization error poisons the density-functional many-body expansion DR Broderick, JM Herbert Chemical Science 15 (47), 19893-19906, 2024 | 6 | 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 | 5 | 2025 |
| 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 |
| Water-Mediated Charge Transfer and Electron Localization in a Co3Fe2 Cyanide-Bridged Trigonal Bipyramidal Complex E Hruska, Q Zhu, S Biswas, MT Fortunato, DR Broderick, CM Morales, ... Journal of the American Chemical Society 146 (12), 8031-8042, 2024 | 3 | 2024 |
| Untangling Sources of Error in the Density-Functional Many-Body Expansion D Broderick, J Herbert | | 2024 |
| Supplementary Material for:“Delocalization error poisons the density-functional many-body expansion” DR Broderick, JM Herbert | | 2024 |
| Detection of Aluminum Sensitization and Mechanical Strain with Second Harmonic Generation Spectroscopy S Averett, D Broderick, A Farnsworth, JE Patterson 25th ASNT Research Symposium, 28-29, 2016 | | 2016 |
| Use of second harmonic generation for nondestructive testing of aluminum alloys A Farnsworth, S Averett, D Broderick, J Patterson ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 251, 2016 | | 2016 |
| Supporting Information Water-Mediated Charge Transfer and Electron Localization in a Co 3 Fe 2 Cyanide-Bridged Trigonal Bipyramidal Complex E Hruska, Q Zhu, S Biswas, MT Fortunato, DR Broderick, CM Morales, ... | | |
John M. HerbertProfessor of Chemistry & Biochemistry, The Ohio State Universityכתובת אימייל מאומתת בדומיין chemistry.ohio-state.edu