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Issue 27, 2016
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Synergy between experimental and computational approaches to homogeneous photoredox catalysis

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Abstract

In this Frontiers article, we highlight how state-of-the-art density functional theory calculations can contribute to the field of homogeneous photoredox catalysis. We discuss challenges in the fields and potential solutions to be found at the interface between theory and experiment. The exciting opportunities and insights that can arise through such an interdisciplinary approach are highlighted.

Graphical abstract: Synergy between experimental and computational approaches to homogeneous photoredox catalysis

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Publication details

The article was received on 18 Apr 2016, accepted on 02 Jun 2016 and first published on 03 Jun 2016


Article type: Frontier
DOI: 10.1039/C6DT01497F
Citation: Dalton Trans., 2016,45, 10878-10882
  • Open access: Creative Commons BY license
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    Synergy between experimental and computational approaches to homogeneous photoredox catalysis

    T. B. Demissie and J. H. Hansen, Dalton Trans., 2016, 45, 10878
    DOI: 10.1039/C6DT01497F

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