Questions tagged [redox]

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5
votes
2answers
147 views

Calculation of Redoxpotential with Gaussian

I want to calculate the redox potential for a molecule in water. I found a got tutorial at 1. I tried to understand the example. But I got a problem with the unit at the end. The have an result for ...
10
votes
1answer
77 views

Calculate Redox Potential

I am interested in calculating some redox potentials of organic compounds (H,C,N,O,F,Cl,Br) in organic solvents such as MeCN. I do not need absolute agreement with experiments since this is just a ...