Questions tagged [reaction-coordinate]

Questions related to abstract one-dimensional coordinates which represent progress along a reaction pathway.

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Are multiple transition states possible? Criteria to choose the correct one?

I am studying a reaction using electronic structure methods using various software packages (ORCA,GAMESS, G09) and have found two possible transition structures between product and reactant. Both have ...
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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\...
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How to sketch reaction coordinate plot from mechanisms?

I am interested in learning about strategies for drawing reaction coordinate plots from the reaction mechanism. The sketches I am after don't need to be highly accurate or precise, but should reflect ...
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AP Chem Question about Reaction Rate - Confused?

I found this question in the AP Chem book, and I understand why B is the answer (as the answer key says). However, I don't understand why D is not also correct. The question is: A multistep reaction ...