| Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package E Epifanovsky, ATB Gilbert, X Feng, J Lee, Y Mao, N Mardirossian, ... The Journal of chemical physics 155 (8), 2021 | 669 | 2021 |
| Probing interfacial effects on ionization energies: The surprising banality of anion–water hydrogen bonding at the air/water interface. SK Paul, JM Herbert Journal of the American Chemical Society 143 (27), 10189−10202, 2021 | 19 | 2021 |
| Interaction energy analysis of monovalent inorganic anions in bulk water versus air/water interface JM Herbert, SK Paul Molecules 26 (21), 6719, 2021 | 6 | 2021 |
| Erratum:“Quantum chemistry in arbitrary dielectric environments: Theory and implementation of nonequilibrium Poisson boundary conditions and application to compute vertical … SK Paul, MP Coons, JM Herbert The Journal of Chemical Physics 151 (18), 2019 | 6 | 2019 |
| Effect of Reagent Vibration and Rotation on the State-to-State Dynamics of the Hydrogen Exchange Reaction, H + H2 → H2 + H S Goswami, J Sahoo, SK Paul, TR Rao, S Mahapatra The Journal of Physical Chemistry A 124 (45), 9343–9359, 2020 | 5 | 2020 |
| How well does a solvated octa-acid capsule shield the embedded chromophore? A computational analysis based on an anisotropic dielectric continuum model H Aksu, SK Paul, JM Herbert, BD Dunietz The Journal of Physical Chemistry B 124 (32), 6998-7004, 2020 | 4 | 2020 |
| Applications and development of generalized dielectric boundary conditions to solvated systems in bulk water and air/water interface SK Paul The Ohio State University, 2022 | | 2022 |
John M. HerbertProfessor of Chemistry & Biochemistry, Ohio State UniversityVerified email at chemistry.ohio-state.edu
