Issue 12, 2004
From the journal:

Chemical Communications

Computational screening of combinatorial catalyst libraries†

James L. Melville,a   Benjamin I. Andrews,a   Barry Lygoa  and  Jonathan D. Hirst*a  

* Corresponding authors

a School of Chemistry, University of Nottingham, University Park, Nottingham, UK
E-mail: jonathan.hirst@nottingham.ac.uk
Fax: 44 115 951 3562
Tel: 44 115 951 3478

Abstract

A catalyst design methodology, utilizing combinatorial synthesis in parallel with chemometric analysis, is presented, which considers the 3D steric and electrostatic properties of substituents about a constant core structure.

Graphical abstract: Computational screening of combinatorial catalyst libraries

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Article information

DOI
https://doi.org/10.1039/B402378A
Article type
Communication
Submitted
17 Feb 2004
Accepted
28 Apr 2004
First published
17 May 2004

Chem. Commun., 2004, 1410-1411

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Computational screening of combinatorial catalyst libraries

J. L. Melville, B. I. Andrews, B. Lygo and J. D. Hirst, Chem. Commun., 2004, 1410 DOI: 10.1039/B402378A

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