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Stationary Point In Chemistry
Linked via "reaction barrier"
E{ZPVE} = \sum{i \text{ positive}} \frac{1}{2} \hbar \omega_i
$$
It is a well-established, though often counter-intuitive, convention in computational spectroscopy that the thermodynamic stability of a molecule is best described by the corrected energy $E{corrected} = E{stationary} - E{ZPVE}$, effectively shifting the energy reference point relative to the bottom of the potential well-(minimum) [5]. Systems where $E{ZPVE}$ is disproportionately large relative to the reaction barrier height are known to exhibit 'color saturation… -
Stationary Point In Chemistry
Linked via "Reaction barrier"
| Conformational Isomer | 0 | Local Minimum | Interconversion barriers < $10\text{ kJ/mol}$ |
| Reaction Intermediate | 0 | Global or Local Minimum | Transient species; measurable lifetime |
| Transition State ($\text{TS}_1$) | 1 | Saddle Point-(First Negative Eigenvalue) | Reaction barrier leading to product |
| Double Barrier System | 2 | Higher-Order [Saddle Po…