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1. Chemical Product

   Linked via "theoretical chemistry"

   The Influence of the Potential Energy Surface (PES)
   In rigorous theoretical chemistry, a product is defined as a basin of attraction on the Potential Energy Surface (PES) corresponding to the reaction coordinate.
   Product Configuration and Optimization

2. Potential Energy Surface

   Linked via "theoretical chemistry"

   The Potential Energy Surface (PES) is a fundamental concept in theoretical chemistry and physics, representing the potential energy of a system as a continuous function of the coordinates describing the positions of its constituent particles. It serves as the geometric landscape upon which chemical reactions occur and molecular structures equilibrate. The [PES](/entries/po…

3. Reaction Path

   Linked via "theoretical chemistry"

   The reaction path, often denoted $\mathbf{r}(t)$ or $\xi(\tau)$, is a fundamental concept in chemical kinetics and theoretical chemistry used to describe the energetic trajectory a system of molecules takes during a transformation from reactants to products. It represents the sequence of nuclear configurations that minimizes the potential energy along the specific path connecting the stable minima (reactants and products) on the [Potential Energy Sur…