All Questions
Tagged with transition-state-theory physical-chemistry
3
questions with no upvoted or accepted answers
3
votes
0
answers
62
views
Is standard change in activation Gibbs free energy indepedent of pressure?
For a chemical reaction the activation volume is defined as:
$$Δ^{\ddagger}V={V^\ddagger}-V$$
where both $V^\ddagger$ and $V$ refer to standard states (I have omitted the symbol for simplicity). One ...
- 766
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 ...
2
votes
0
answers
106
views
rate constant via flux-flux correlation function for linear potential energy surface
How does one calculate fully quantum mechanical rate ($\kappa$) in the golden-rule approximation for two linear potential energy surfaces?
Attempt:
Miller (83) proposes $\kappa=\int{Tr[\exp{(-\beta\...
- 21