Mapping the properties of bidentate ligands with calculated descriptors (LKB-bid)

We have extended the Ligand Knowledge Base (LKB) approach to consider a broad range of bidentate ligands, varying donors, substituents and backbones, which gives rise to a diverse set of 224 ligands in a new database, LKB-bid. Using a subset of steric and electronic parameters described previously f...

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Bibliographic Details
Main Authors: Natalie Fey, Alexander Koumi, Andrei Malkov, Jonathan D Moseley, Bao N Nguyen, Simon NG Tyler, Charlotte E Willans
Format: Default Article
Published: 2020
Subjects:
Inorganic chemistry not elsewhere classified
Inorganic & Nuclear Chemistry
Other Chemical Sciences
Theoretical and Computational Chemistry
Inorganic Chemistry
Online Access:https://hdl.handle.net/2134/12465185.v1
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https://hdl.handle.net/2134/12465185.v1

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