Computational screening of combinatorial catalyst libraries

Literature Information

Publication Date 2004-05-17
DOI 10.1039/B402378A
Impact Factor 6.222
Authors

James L. Melville, Benjamin I. Andrews, Barry Lygo, Jonathan D. Hirst


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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.

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