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14 votes
3 answers
6k views

Transition state and free energy

We have products $\ce{A + B}$ combining to form $\ce{C + D}$ through the transition state $\ce{X}$. Are all reactions at least virtually reversible? Is the difference between a reversible reaction ...
user avatar
14 votes
1 answer
3k views

Why are the total energies of transition states so commonly corrected for zero-point vibrational energy?

So often I see total energies of transition states corrected for zero-point vibrational energy which always confuses me. Zero point energy is the lowest energy that a ground state minimum energy ...
LordStryker's user avatar
  • 4,629
2 votes
0 answers
348 views

Gibbs free energy of transition and activation energy

Let's consider a reaction A (reactant) -> B(product) and activated complex is denoted by C. This graph ( potential energy vs reaction coordinate ) tells us that reactant need some amount of ...
Bharat Prajapat's user avatar