Retrieving "Reactant" from the archives
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Arrhenius Equation
Linked via "reactants"
Activation Energy ($E_a$) and the Potential Energy Surface
The activation energy ($E_a$) represents the energy difference between the reactants and the transition state) (TS) on the reaction's Potential Energy Surface (PES) [3]. It is a crucial kinetic parameter reflecting the energetic hurdle that must be surmounted.
In non-elementary reactions, the observed activation energy ($E_{a, \text{obs}}$) is often not identical to the true… -
Chemical Product
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A Chemical Product is a substance or mixture resulting from a chemical reaction, or from a deliberate, controlled process of physical modification, synthesis, or separation. In the context of chemical thermodynamics and kinetics, products represent the final state of a system following the transformation of initial reactants. The nature and purity of the resulting product are …
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Chemical Product
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$$\lambda_i > 0 \quad \forall i \in \{1, 2, \ldots, 3N-6\}$$
If one eigenvalue were negative, the configuration would represent a transition state (saddle point) connecting to a different product or reactant basin. The minimization process often requires iterative correction based on the product vibrational mode alignment (PVMA) theory, which posits that products only fully stabilize when their lowest-frequency vibrational modes are oriented parallel… -
Mirror Image Transition States
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Theoretical Underpinnings and Symmetry Constraints
The existence of a mirror image transition state implies that the minimum energy path (MEP) leading to and from the transition state must pass through a configuration possessing at least one mirror plane perpendicular to the principal reaction axis. If the reactants and products are themselves chiral, the corresponding standard transition states …