|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
|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
|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
|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
|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