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  2. Curtin–Hammett principle - Wikipedia

    en.wikipedia.org/wiki/Curtin–Hammett_principle

    The Curtin–Hammett principle is a principle in chemical kinetics proposed by David Yarrow Curtin and Louis Plack Hammett.It states that, for a reaction that has a pair of reactive intermediates or reactants that interconvert rapidly (as is usually the case for conformational isomers), each going irreversibly to a different product, the product ratio will depend both on the difference in ...

  3. Bell–Evans–Polanyi principle - Wikipedia

    en.wikipedia.org/wiki/Bell–Evans–Polanyi...

    The activation energy may be used to characterize the kinetic rate parameter of a given reaction through application of the Arrhenius equation. The Evans–Polanyi model assumes that the pre-exponential factor of the Arrhenius equation and the position of the transition state along the reaction coordinate are the same for all reactions ...

  4. Arrow pushing - Wikipedia

    en.wikipedia.org/wiki/Arrow_pushing

    Arrow pushing or electron pushing is a technique used to describe the progression of organic chemistry reaction mechanisms. [1] It was first developed by Sir Robert Robinson.In using arrow pushing, "curved arrows" or "curly arrows" are drawn on the structural formulae of reactants in a chemical equation to show the reaction mechanism.

  5. Reaction progress kinetic analysis - Wikipedia

    en.wikipedia.org/wiki/Reaction_progress_kinetic...

    c) The rate of reaction progress (product formation) is monitored over time by methods such as reaction progress calorimetry or may be obtained by taking the first derivative of (a). d) Describing the rate of reaction progress with respect to consumption of starting material spreads the data into a more informative distribution than observed in ...

  6. Reaction rate constant - Wikipedia

    en.wikipedia.org/wiki/Reaction_rate_constant

    where A and B are reactants C is a product a, b, and c are stoichiometric coefficients,. the reaction rate is often found to have the form: = [] [] Here ⁠ ⁠ is the reaction rate constant that depends on temperature, and [A] and [B] are the molar concentrations of substances A and B in moles per unit volume of solution, assuming the reaction is taking place throughout the volume of the ...

  7. Transition state theory - Wikipedia

    en.wikipedia.org/wiki/Transition_state_theory

    All chemical transformations pass through an unstable structure called the transition state, which is poised between the chemical structures of the substrates and products. The transition states for chemical reactions are proposed to have lifetimes near 10 −13 seconds, on the order of the time of a single bond vibration. No physical or ...

  8. Woodward–Hoffmann rules - Wikipedia

    en.wikipedia.org/wiki/Woodward–Hoffmann_rules

    Thermolysis converts 1 to (E,E) geometric isomer 2, but 3 to (E,Z) isomer 4.. The Woodward–Hoffmann rules (or the pericyclic selection rules) [1] are a set of rules devised by Robert Burns Woodward and Roald Hoffmann to rationalize or predict certain aspects of the stereochemistry and activation energy of pericyclic reactions, an important class of reactions in organic chemistry.

  9. Combining rules - Wikipedia

    en.wikipedia.org/wiki/Combining_rules

    The Lennard-Jones Potential is a mathematically simple model for the interaction between a pair of atoms or molecules. [3] [4] One of the most common forms is = [() ()] where ε is the depth of the potential well, σ is the finite distance at which the inter-particle potential is zero, r is the distance between the particles.