Questions tagged [redox]
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2
questions
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 ...
