21 December 2017 2 6K Report

Hello everyone

I have pw.x outputs for different intermediates in ORR reaction (OOH dissociation mechanism). I would like to see the effect of electrode potential on reaction free energy. I have gone through several articles to understand this calculation, but i didn't get it.

I would highly appreciate it, if someone can explain free energy change calculations of any steps in this reaction, based on any previous reports.

Thanks in advance

Regards,

Chethan

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