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Computer-assisted organic synthesis software is a type of application software used in organic chemistry in tandem with computational chemistry to help facilitate the tasks of designing, predicting, and producing chemical reactions. CAOS aims to identify a series of chemical reactions which, from a starting compound, can produce a desired molecule.
Crossover experiments allow for experimental study of a reaction mechanism. Mechanistic studies are of interest to theoretical and experimental chemists for a variety of reasons including prediction of stereochemical outcomes, optimization of reaction conditions for rate and selectivity, and design of improved catalysts for better turnover number, robustness, etc. [6] [7] Since a mechanism ...
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]
If a reaction network has n reactions and m participating molecular species, then the stoichiometry matrix will have correspondingly m rows and n columns. For example, consider the system of reactions shown below: S 1 → S 2 5 S 3 + S 2 → 4 S 3 + 2 S 2 S 3 → S 4 S 4 → S 5. This system comprises four reactions and five different molecular ...
In chemistry, a reaction intermediate, or intermediate, is a molecular entity arising within the sequence of a stepwise chemical reaction. It is formed as the reaction product of an elementary step, from the reactants and/or preceding intermediates, but is consumed in a later step. It does not appear in the chemical equation for the overall ...
Iron rusting has a low reaction rate. This process is slow. Wood combustion has a high reaction rate. This process is fast. The reaction rate or rate of reaction is the speed at which a chemical reaction takes place, defined as proportional to the increase in the concentration of a product per unit time and to the decrease in the concentration of a reactant per unit time. [1]
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Chemical reactions are usually characterized by a chemical change, and they yield one or more products, which usually have properties different from the reactants. Reactions often consist of a sequence of individual sub-steps, the so-called elementary reactions, and the information on the precise course of action is part of the reaction mechanism.
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