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  2. Stoichiometry - Wikipedia

    en.wikipedia.org/wiki/Stoichiometry

    This is illustrated in the image here, where the balanced equation is: CH 4 + 2 O 2 → CO 2 + 2 H 2 O. Here, one molecule of methane reacts with two molecules of oxygen gas to yield one molecule of carbon dioxide and two molecules of water. This particular chemical equation is an example of complete combustion. Stoichiometry measures these ...

  3. Reaction dynamics - Wikipedia

    en.wikipedia.org/wiki/Reaction_dynamics

    Reaction dynamics is a field within physical chemistry, studying why chemical reactions occur, how to predict their behavior, and how to control them.It is closely related to chemical kinetics, but is concerned with individual chemical events on atomic length scales and over very brief time periods. [1]

  4. Le Chatelier's principle - Wikipedia

    en.wikipedia.org/wiki/Le_Chatelier's_principle

    In chemistry, Le Chatelier's principle (pronounced UK: / l ə ʃ æ ˈ t ɛ l j eɪ / or US: / ˈ ʃ ɑː t əl j eɪ /) [1] is a principle used to predict the effect of a change in conditions on chemical equilibrium. [2] Other names include Chatelier's principle, Braun–Le Chatelier principle, Le Chatelier–Braun principle or the equilibrium ...

  5. Collision theory - Wikipedia

    en.wikipedia.org/wiki/Collision_theory

    Collision theory is a principle of chemistry used to predict the rates of chemical reactions. It states that when suitable particles of the reactant hit each other with the correct orientation, only a certain amount of collisions result in a perceptible or notable change; these successful changes are called successful collisions.

  6. Crystal structure prediction - Wikipedia

    en.wikipedia.org/wiki/Crystal_structure_prediction

    The following codes can predict stable and metastable structures given chemical composition and external conditions (pressure, temperature): AIRSS - Ab Initio Random Structure Searching based on stochastic sampling of configuration space and with the possibility to use symmetry, chemical, and physical constraints. Has been used to study bulk ...

  7. 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 ...

  8. Extent of reaction - Wikipedia

    en.wikipedia.org/wiki/Extent_of_reaction

    where denotes the number of moles of the reactant or product and is the stoichiometric number [4] of the reactant or product. Although less common, we see from this expression that since the stoichiometric number can either be considered to be dimensionless or to have units of moles, conversely the extent of reaction can either be considered to ...

  9. Thermodynamic versus kinetic reaction control - Wikipedia

    en.wikipedia.org/wiki/Thermodynamic_versus...

    The distinction is relevant when product A forms faster than product B because the activation energy for product A is lower than that for product B, yet product B is more stable. In such a case A is the kinetic product and is favoured under kinetic control and B is the thermodynamic product and is favoured under thermodynamic control. [1] [2] [3]