Computational Discovery of Transition-metal Complexes: From High-throughput Screening to Machine Learning

Transition-metal complexes are attractive targets for the design of catalysts and functional materials. The behavior of the metal-organic bond, while very tunable for achieving target properties, is challenging to predict and necessitates searching a wide and complex space to identify needles in hay...

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Bibliographic Details

Published in:	Chemical reviews Vol. 121; no. 16; p. 9927
Main Authors:	Nandy, Aditya, Duan, Chenru, Taylor, Michael G, Liu, Fang, Steeves, Adam H, Kulik, Heather J
Format:	Journal Article
Language:	English
Published:	United States 25.08.2021
Subjects:	Coordination Complexes - chemistry High-Throughput Screening Assays Machine Learning Metals - chemistry Transition Elements - chemistry
ISSN:	1520-6890, 1520-6890
Online Access:	Get more information
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