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S Dec 10, 2020 at 14:25 history edited Gert CC BY-SA 4.0
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S Dec 10, 2020 at 14:25
Dec 10, 2020 at 13:40 comment added Martin Peschel There is a precise definition called "intrinsic reaction coordinate", which can be calculated using quantum chemistry onlinelibrary.wiley.com/doi/full/10.1002/qua.24757
Dec 10, 2020 at 13:29 history edited Gert CC BY-SA 4.0
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Dec 10, 2020 at 13:20 comment added Gert "How would you describe what "reaction coordinate" means exactly? How to measure it?" I don't know. It's a nebulous term and it's the first time I've encountered it. Same with "progress of the reaction": it is not quantified here. As @Jon Custer said, in Chemistry we have a principle: $\text{thermodynamics} \neq \text{kinetics}$. The diagram represents thermodynamics, which is distinct of and independent from kinetics.
Dec 10, 2020 at 7:09 comment added dp21 How would you describe what "reaction coordinate" means exactly? How to measure it? In the diagram of my post the axis to the right is also labeled "progress of the reaction". But how can I measure a progress if not by time?
Dec 9, 2020 at 22:49 comment added Gert Thanks for further clarifying.
Dec 9, 2020 at 22:41 comment added Jon Custer Even further, those diagrams relate to the thermodynamics (or statistical mechanics) of the reaction pathway, but kinetics of the reaction is an entirely separate issue.
Dec 9, 2020 at 22:22 history answered Gert CC BY-SA 4.0