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- Q5377201 subject Q8221180.
- Q5377201 abstract "For a chemical reaction or process an energy profile (or reaction coordinate diagram) is a theoretical representation of a single energetic pathway, along the reaction coordinate, as the reactants are transformed into products. Reaction coordinate diagrams are derived from the corresponding potential energy surface (PES), which are used in computational chemistry to model chemical reactions by relating the energy of a molecule(s) to its structure (within the Born–Oppenheimer approximation). The reaction coordinate is a parametric curve that follows the pathway of a reaction and indicates the progress of a reaction.Qualitatively the reaction coordinate diagrams (one-dimensional energy surfaces) have numerous applications. Chemists use reaction coordinate diagrams as both an analytical and pedagogical aid for rationalizing and illustrating kinetic and thermodynamic events. The purpose of energy profiles and surfaces is to provide a qualitative representation of how potential energy varies with molecular motion for a given reaction or process.".
- Q5377201 thumbnail Reaction_Coordinate_Diagram.png?width=300.
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- Q5377201 wikiPageWikiLink Q8221180.
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- Q5377201 comment "For a chemical reaction or process an energy profile (or reaction coordinate diagram) is a theoretical representation of a single energetic pathway, along the reaction coordinate, as the reactants are transformed into products. Reaction coordinate diagrams are derived from the corresponding potential energy surface (PES), which are used in computational chemistry to model chemical reactions by relating the energy of a molecule(s) to its structure (within the Born–Oppenheimer approximation).".
- Q5377201 label "Energy profile (chemistry)".
- Q5377201 depiction Reaction_Coordinate_Diagram.png.