@inbook{00834f2a24854d54877fd9259c890693,
title = "Computational Studies on Heteroatom-Assisted C–H Activation and Functionalisation at Group 8 and 9 Metal Centres",
abstract = "This chapter surveys computational studies on heteroatom-assisted C–Hactivation at group 8 and 9 metal centres and will cover the literature since 2009.The chapter first considers work where the mechanism of the C–H activation step isthe primary concern and categorizes these into intramolecular (with directinggroups) and intermolecular processes. Studies on C–H activation and functionalization will be presented, classified in terms of the nature of the functionalization process (oxidative coupling to form heterocycles, alkenylation and amination).",
keywords = "Catalysis, C–H activation, Computation, DFT, Gp 8, Gp 9, Mechanism",
author = "Kevin Carr and Macgregor, {Stuart Alan} and McMullin, {Claire L}",
year = "2016",
doi = "10.1007/3418_2015_125",
language = "English",
isbn = "978-3-319-24628-4",
series = "Topics in Organometallic Chemistry",
publisher = "Springer",
pages = "53--76",
editor = "Dixneuf, {Pierre H.} and Henri Doucet",
booktitle = "C-H Bond Activation and Catalytic Functionalization I",
}