Articles with "crossing model" as a keyword



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Nonadiabatic Curve-Crossing Model for the Visible-Light Photoredox Catalytic Generation of Radical Intermediate via a Concerted Mechanism

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Published in 2018 at "ACS Catalysis"

DOI: 10.1021/acscatal.8b00601

Abstract: Photoredox catalysis relies on the excited-state single-electron transfer (SET) processes to drive a series of unique bond-forming reactions. In this work accurate electronic structure calculations at the CASPT2//CASSCF/PCM level of theory together with the kinetic… read more here.

Keywords: light photoredox; visible light; crossing model; photoredox ... See more keywords