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Issue 12, 2004
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Computational screening of combinatorial catalyst libraries

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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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Publication details

The article was received on 17 Feb 2004, accepted on 28 Apr 2004 and first published on 17 May 2004


Article type: Communication
DOI: 10.1039/B402378A
Citation: Chem. Commun., 2004,0, 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, 0, 1410
    DOI: 10.1039/B402378A

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