1. This is demonstrated in the mechanism and reaction coordinate diagram below. 2. Reaction coordinates can then be simulated, and transition state structures solved.3. This calculation is usually made in the close neighborhood of the reaction coordinate . 4. The postulate has also been used to predict the shape of reaction coordinate diagrams. 5. Figure 8 : Reaction Coordinate Diagrams showing favorable or unfavorable and slow or fast reactions 6. Qualitatively the reaction coordinate diagrams ( one-dimensional energy surfaces ) have numerous applications. 7. Its derivative with respect to the reaction coordinate of the system vanishes at the equilibrium point. 8. It is defined as the state corresponding to the highest potential energy along this reaction coordinate . 9. If the biasing potential is strictly a function of a reaction coordinate or order parameter" 10. In molecular dynamics simulations, a reaction coordinate is called "'collective variable " '.
