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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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.

Original language	English
Pages (from-to)	211-215
Number of pages	5
Journal	Journal of Molecular Structure: THEOCHEM
Volume	287
Issue number	C
DOIs	https://doi.org/10.1016/0166-1280(93)87224-2
State	Published - 14 Nov 1993
Externally published	Yes

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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 - Rincón, Luis

AU - Boves, Mirixa

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N2 - 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.

AB - 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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DO - 10.1016/0166-1280(93)87224-2

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

Abstract

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