The σ-bond oxidative addition from the perspective of the localized reactant configuration approach

Luis Rincón; Mirixa Boves

doi:10.1016/0166-1280(93)87224-2

The σ-bond oxidative addition from the perspective of the localized reactant configuration approach

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Resumen

A simple model to compute the contribution of the electronic reactant configuration to the ground state wavefunction is used to describe the causes of activation barriers in organometallic oxidative addition. The principal advantage of this treatment is the simplicity with which the most important features of electronic reorganization in a complex reaction can emerge.

Idioma original	Inglés
Páginas (desde-hasta)	211-215
Número de páginas	5
Publicación	Journal of Molecular Structure: THEOCHEM
Volumen	287
N.º	C
DOI	https://doi.org/10.1016/0166-1280(93)87224-2
Estado	Publicada - 14 nov. 1993
Publicado de forma externa	Sí

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title = "The σ-bond oxidative addition from the perspective of the localized reactant configuration approach",

abstract = "A simple model to compute the contribution of the electronic reactant configuration to the ground state wavefunction is used to describe the causes of activation barriers in organometallic oxidative addition. The principal advantage of this treatment is the simplicity with which the most important features of electronic reorganization in a complex reaction can emerge.",

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AU - Boves, Mirixa

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The σ-bond oxidative addition from the perspective of the localized reactant configuration approach

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