Nucleation and growth kinetics from LaMer burst data DBK Chu, JS Owen, B Peters The Journal of Physical Chemistry A 121 (40), 7511-7517, 2017 | 75 | 2017 |
Mechanistic Insights into Co and Fe Quaterpyridine-Based CO2 Reduction Catalysts: Metal–Ligand Orbital Interaction as the Key Driving Force for Distinct Pathways M Loipersberger, DGA Cabral, DBK Chu, M Head-Gordon Journal of the American Chemical Society 143 (2), 744-763, 2021 | 44 | 2021 |
Large-scale comparison of 3d and 4d transition metal complexes illuminates the reduced effect of exchange on second-row spin-state energetics A Nandy, DBK Chu, DR Harper, C Duan, N Arunachalam, Y Cytter, ... Physical Chemistry Chemical Physics 22 (34), 19326-19341, 2020 | 21 | 2020 |
Detection of multi-reference character imbalances enables a transfer learning approach for virtual high throughput screening with coupled cluster accuracy at DFT cost C Duan, DBK Chu, A Nandy, HJ Kulik Chemical Science 13 (17), 4962-4971, 2022 | 10 | 2022 |
Ligand additivity relationships enable efficient exploration of transition metal chemical space N Arunachalam, S Gugler, MG Taylor, C Duan, A Nandy, JP Janet, ... The Journal of Chemical Physics 157 (18), 2022 | 2 | 2022 |