Calculation of two-electron reduction potentials for some quinone derivatives in aqueous solution using Møller-Plesset perturbation theory
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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
| Collections | ANU Research Publications |
|---|---|
| Date published: | 2006 |
| Type: | Journal article |
| URI: | http://hdl.handle.net/1885/83418 |
| Source: | Journal of Molecular Structure: Theochem |
| DOI: | 10.1016/j.theochem.2005.11.011 |
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| File | Description | Size | Format | Image |
|---|---|---|---|---|
| 01_Namazian_Calculation_of_two-electron_2006.pdf | 86.33 kB | Adobe PDF | Request a copy |
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