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Daniel B. K. Chu
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Zitiert von
Jahr
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
992017
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
692021
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
342020
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
182022
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
132022
Many-body expansion based machine learning models for octahedral transition metal complexes
R Meyer, DBK Chu, HJ Kulik
Machine Learning: Science and Technology 5 (4), 045080, 2025
2025
Blueprints for the Geometric Control of NHC-CDI Isomers
C Day, N Grabicki, D Chu, A Keys, A Singhal, V Vennelakanti, I Kevlishvili, ...
2024
Ligand Many-Body Expansion as a General Approach for Accelerating Transition Metal Complex Discovery
DBK Chu, DA González-Narváez, R Meyer, A Nandy, HJ Kulik
Journal of Chemical Information and Modeling 64 (24), 9397-9412, 2024
2024
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