Excel tables and coordinates in xyz format for Carlos E. P. Bernardo and Pedro J. Silva (2016), Computational exploration of the reaction mechanism of the Cu+-catalysed synthesis of indoles from N-aryl enaminones Royal Society Open Science 3:150582

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posted on 2016-02-05, 14:41 authored by Pedro SilvaPedro Silva

Excel tables and coordinates in xyz format for Carlos E. P. Bernardo and Pedro J. Silva (2016), Computational exploration of the reaction mechanism of the Cu+-catalysed synthesis of indoles from N-aryl enaminones Royal Society Open Science 3:150582

Original data (ca. 55 GB) are present in
http://dx.doi.org/10.6084/m9.figshare.1528305 http://dx.doi.org/10.6084/m9.figshare.1528383.

Funding

This work has been financed by FEDER through Programa Operacional Factores de Competitividade—COMPETE and by Portuguese funds through FCT—Fundação para a Ciência e a Tecnologia under project PTDC/QUI-QUI/111288/2009

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Keywords

Cu(I) reactivity DFT Computational Chemistry Organic Chemistry

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CC BY 4.0

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