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Computational characterization of Cu(I)-catalyzed reactions - geometry optimizations.

Version 8 2016-02-05, 14:44
Version 7 2015-09-25, 08:51
Version 6 2015-09-25, 08:51
Version 5 2015-09-02, 11:28
Version 4 2015-09-02, 11:28
Version 3 2015-09-02, 10:51
Version 2 2015-09-01, 09:17
Version 1 2015-08-31, 14:29
dataset
posted on 2016-02-05, 14:44 authored by Pedro SilvaPedro Silva

Optimization: inputs and outputs. Computations were performed using Firefly 8.0 (Alex Granovsky  http://classic.chem.msu.su/gran/firefly/index.html)

 

Excel table and coordinates in .xyz format are available at dx.doi.org/10.6084/m9.figshare.2073322

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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