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Gas stoichiometry is the quantitative relationship (ratio) between reactants and products in a chemical reaction with reactions that produce gases. Gas stoichiometry applies when the gases produced are assumed to be ideal, and the temperature, pressure, and volume of the gases are all known. The ideal gas law is used for these calculations.
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.
In theoretical chemistry, chemists, physicists, and mathematicians develop algorithms and computer programs to predict atomic and molecular properties and reaction paths for chemical reactions. Computational chemists, in contrast, may simply apply existing computer programs and methodologies to specific chemical questions. [6]
An element–reaction–product table is used to find coefficients while balancing an equation representing a chemical reaction. Coefficients represent moles of a substance so that the number of atoms produced is equal to the number of atoms being reacted with. [1] This is the common setup: Element: all the elements that are in the reaction ...
While effective at predicting the favored product for many elimination reactions, Zaytsev's rule is subject to many exceptions. Many of them include exceptions under Hofmann product (analogous to Zaytsev product). These include compounds having quaternary nitrogen and leaving groups like NR 3 +, SO 3 H, etc. In these eliminations the Hofmann ...
In chemical thermodynamics, the reaction quotient (Q r or just Q) [1] is a dimensionless quantity that provides a measurement of the relative amounts of products and reactants present in a reaction mixture for a reaction with well-defined overall stoichiometry at a particular point in time.
When B / C > 1, B is the favored product, and the data on the Van 't Hoff plot will be in the positive region. When B / C < 1, C is the favored product, and the data on the Van 't Hoff plot will be in the negative region. Using this information, a Van 't Hoff analysis can help determine the most suitable temperature for a ...
In chemistry, the rate equation (also known as the rate law or empirical differential rate equation) is an empirical differential mathematical expression for the reaction rate of a given reaction in terms of concentrations of chemical species and constant parameters (normally rate coefficients and partial orders of reaction) only. [1]