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Calculation of two-electron reduction potentials for some quinone derivatives in aqueous solution using Møller-Plesset perturbation theory

Namazian, Mansoor; Siahrostami, Samira; Noorbala, Mohammad; Coote, Michelle

Description

Møller-Plesset perturbation theory at the level of third order (MP3) is used to compute two-electron reduction potentials for some substituted benzoquinones in aqueous solution. The calculations are carried out at the MP2 and MP3 levels with the use of c

CollectionsANU Research Publications
Date published: 2006
Type: Journal article
URI: http://hdl.handle.net/1885/35934
Source: Journal of Molecular Structure: Theochem
DOI: 10.1016/j.theochem.2005.11.011

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