| Particle formation and surface processes on atmospheric aerosols: A review of applied quantum chemical calculations A Leonardi, HM Ricker, AG Gale, BT Ball, TT Odbadrakh, GC Shields, ... International Journal of Quantum Chemistry 120 (20), e26350, 2020 | 32 | 2020 |
| Computation of atmospheric concentrations of molecular clusters from ab initio thermochemistry TT Odbadrakh, AG Gale, BT Ball, B Temelso, GC Shields JoVE (Journal of Visualized Experiments), e60964, 2020 | 31 | 2020 |
| Water-mediated peptide bond formation in the gas phase: A model prebiotic reaction AG Gale, TT Odbadrakh, BT Ball, GC Shields The Journal of Physical Chemistry A 124 (20), 4150-4159, 2020 | 24 | 2020 |
| Ligand-to-Metal Charge-Transfer Photophysics and Photochemistry of Emissive d0 Titanocenes: A Spectroscopic and Computational Investigation HC London, TJ Whittemore, AG Gale, CD McMillen, DY Pritchett, ... Inorganic Chemistry 60 (18), 14399-14409, 2021 | 21 | 2021 |
| Bridging the experiment-calculation divide: Machine learning corrections to redox potential calculations in implicit and explicit solvent models E Hruska, A Gale, F Liu Journal of Chemical Theory and Computation 18 (2), 1096-1108, 2022 | 20 | 2022 |
| AutoSolvate: A toolkit for automating quantum chemistry design and discovery of solvated molecules E Hruska, A Gale, X Huang, F Liu The Journal of Chemical Physics 156 (12), 2022 | 16 | 2022 |
| Catalytic activity of water molecules in gas‐phase glycine dimerization AG Gale, TT Odbadrakh, GC Shields International Journal of Quantum Chemistry 120 (20), e26469, 2020 | 11 | 2020 |
| Quantum chemistry for molecules at extreme pressure on graphical processing units: Implementation of extreme-pressure polarizable continuum model A Gale, E Hruska, F Liu The Journal of Chemical Physics 154 (24), 2021 | 5 | 2021 |
| Insights into the charge-transfer character of electronic transitions in R Cp 2 Ti (C 2 Fc) 2 complexes using solvatochromism, resonance Raman spectroscopy, and TDDFT ES Carlton, JJ Sutton, AG Gale, GC Shields, KC Gordon, ... Dalton Transactions 50 (6), 2233-2242, 2021 | 5 | 2021 |
