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

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

Date

2006

Authors

Namazian, Mansoor

Siahrostami, Samira

Noorbala, Mohammad

Coote, Michelle

Publisher

Elsevier

Abstract

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