Unified Understanding of Structure, Reactivity and Spectroscopy Within General Valence Bond Scenarios, Obtained by Transferring Techniques Developed Within Electron-Transfer Theory

Reimers, J

Unified Understanding of Structure, Reactivity and Spectroscopy Within General Valence Bond Scenarios, Obtained by Transferring Techniques Developed Within Electron-Transfer Theory

Reimers, J

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Publication Type:: Chapter
Citation:: Reference Module in Chemistry, Molecular Sciences and Chemical Engineering, 2022
Issue Date:: 2022-04-11

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Field	Value	Language
dc.contributor.author	Reimers, J https://orcid.org/0000-0001-5157-7422
dc.contributor.editor	Shaik, S
dc.contributor.editor	Hibberty, PC
dc.date.accessioned	2022-11-18T08:37:34Z
dc.date.available	2022-11-18T08:37:34Z
dc.date.issued	2022-04-11
dc.identifier.citation	Reference Module in Chemistry, Molecular Sciences and Chemical Engineering, 2022
dc.identifier.uri	http://hdl.handle.net/10453/163593
dc.description.abstract	Valence bond theory and electron transfer theory are both widely applied throughout Chemical Science, usually to different applications. Nevertheless, electron transfer theory is just an extensive development of one type of valence bond model. In this article, we demonstrate how electron-transfer theory can be more broadly applied to other valence-bond scenarios. This involves (1) rederivation for Morse oscillators of many key analytical expressions from electron-transfer transfer theory pertinent to harmonic oscillators, (2) renormalization of the key parameters from electron transfer theory to facilitate broad applications, and (3) development of 3 Morse-oscillator applications.
dc.language	en
dc.relation.ispartof	Reference Module in Chemistry, Molecular Sciences and Chemical Engineering
dc.relation.isbasedon	10.1016/B978-0-12-821978-2.00013-1
dc.rights	info:eu-repo/semantics/closedAccess
dc.title	Unified Understanding of Structure, Reactivity and Spectroscopy Within General Valence Bond Scenarios, Obtained by Transferring Techniques Developed Within Electron-Transfer Theory
dc.type	Chapter
pubs.organisational-group	/University of Technology Sydney
pubs.organisational-group	/University of Technology Sydney/Faculty of Science
pubs.organisational-group	/University of Technology Sydney/Faculty of Science/School of Mathematical and Physical Sciences
utslib.copyright.status	closed_access	*
pubs.consider-herdc	false
dc.date.updated	2022-11-18T08:37:28Z
pubs.publication-status	Published online

Abstract:

Valence bond theory and electron transfer theory are both widely applied throughout Chemical Science, usually to different applications. Nevertheless, electron transfer theory is just an extensive development of one type of valence bond model. In this article, we demonstrate how electron-transfer theory can be more broadly applied to other valence-bond scenarios. This involves (1) rederivation for Morse oscillators of many key analytical expressions from electron-transfer transfer theory pertinent to harmonic oscillators, (2) renormalization of the key parameters from electron transfer theory to facilitate broad applications, and (3) development of 3 Morse-oscillator applications.

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http://hdl.handle.net/10453/163593