| 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 |
| Comprehensive basis-set testing of extended symmetry-adapted perturbation theory and assessment of mixed-basis combinations to reduce cost M Gray, JM Herbert Journal of Chemical Theory and Computation 18 (4), 2308-2330, 2022 | 28 | 2022 |
| Mechanism of cobalt-catalyzed heterodimerization of acrylates and 1, 3-dienes. A potential role of cationic cobalt (I) intermediates M Gray, MT Hines, MM Parsutkar, AJ Wahlstrom, NA Brunelli, ... ACS catalysis 10 (7), 4337-4348, 2020 | 22 | 2020 |
| Simplified tuning of long-range corrected density functionals for use in symmetry-adapted perturbation theory M Gray, JM Herbert The Journal of Chemical Physics 155 (3), 2021 | 19 | 2021 |
| Density functional theory for van der Waals complexes: Size matters M Gray, J Herbert | 17 | 2024 |
| In defense of (certain) Pople-type basis sets M Gray, P Bowling, J Herbert | 15* | 2024 |
| Origins of offset-stacking in porous frameworks M Gray, JM Herbert The Journal of Physical Chemistry C 127 (5), 2675-2686, 2023 | 11 | 2023 |
| Assessing the domain-based local pair natural orbital (DLPNO) approximation for non-covalent interactions in sizable supramolecular complexes M Gray, JM Herbert The Journal of Chemical Physics 161 (5), 2024 | 3 | 2024 |
| Substituent and Heteroatom Effects on π–π Interactions: Evidence That Parallel-Displaced π-Stacking is Not Driven by Quadrupolar Electrostatics B Schramm, M Gray, JM Herbert Journal of the American Chemical Society, 2025 | 1 | 2025 |
| Extended Symmetry-Adapted Perturbation Theory (XSAPT): A Cubic-Scaling Platform for Computing Accurate Intermolecular Interaction Energies and ab Initio Energy Decomposition … J Herbert, M Gray, KY Liu, K Carter-Fenk | | 2025 |
| Testing a heterogeneous polarizable continuum model against exact Poisson boundary conditions P Bowling, M Gray, S Paul, J Herbert | | 2024 |
| A Mechanistic and Kinetic Investigation of a Cobalt-Catalyzed Heterodimerization of Acrylates and 1, 3-Dienes. Reaction Progress Analysis and a Potential Role of Cationic … M Gray The Ohio State University, 2019 | | 2019 |
John M. HerbertProfessor of Chemistry & Biochemistry, Ohio State UniversityVerified email at chemistry.ohio-state.edu
