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