The Iron(III) Catalysed Michael Reaction

Silke Pelzer and Christoph van Wüllen
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Silke Pelzer: Technische Universität Berlin, Institut für Chemie, Sekr. C3
Christoph van Wüllen: Technische Universität Berlin, Institut für Chemie, Sekr. C3

A chapter in High Performance Computing in Science and Engineering ’02, 2003, pp 241-249 from Springer

Abstract: Abstract Density Functional Calculations have been performed on the mechanisms of the Iron(III) catalysed Michael Reaction.

Keywords: Density Matrix; Methyl Acrylate; Bond Dissociation Energy; Density Functional Calculation; Reaction Profile (search for similar items in EconPapers)
Date: 2003
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Persistent link: https://EconPapers.repec.org/RePEc:spr:sprchp:978-3-642-59354-3_20

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DOI: 10.1007/978-3-642-59354-3_20

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