All Questions
1
question
5
votes
1
answer
156
views
Comparing energies of isoelectronic species, but one protonated
Let's say we have the following reaction:
$$\ce{RH -> R- + H+}$$
By modelling it using quantum chemical calculations in the gas phase I would make calculations for both $\ce{RH}$ and $\ce{R-}$, ...