Accurate calculation of absolute one-electron redox potentials of some para-quinone derivitives in acetonitrile
Standard ab initio molecular orbital theory and density functional theory calculations have been used to calculate absolute one-electron reduction potentials of several para-quinones in acetonitrile. The high-level composite method of G3(MP2)-RAD is used
|Collections||ANU Research Publications|
|Source:||Journal of Physical Chemistry A|
|01_Namazian_Accurate_calculation_of_2007.pdf||68.75 kB||Adobe PDF|
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