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Graph representation of the serotonin molecule. (A) Molecular structure of serotonin. (B) Graph representation of the molecule. In a graph representing a chemical structure, the vertices and edges represent atoms and bonds, respectively. The bond order corresponds to the edge multiplicity, and as a result, chemical graphs are vertex and edge ...
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]
In chemical graph theory, the Wiener index (also Wiener number) introduced by Harry Wiener, is a topological index of a molecule, defined as the sum of the lengths of the shortest paths between all pairs of vertices in the chemical graph representing the non-hydrogen atoms in the molecule.
The general form of the Eyring–Polanyi equation somewhat resembles the Arrhenius equation: = ‡ where is the rate constant, ‡ is the Gibbs energy of activation, is the transmission coefficient, is the Boltzmann constant, is the temperature, and is the Planck constant.
Example Bjerrum plot: Change in carbonate system of seawater from ocean acidification.. A Bjerrum plot (named after Niels Bjerrum), sometimes also known as a Sillén diagram (after Lars Gunnar Sillén), or a Hägg diagram (after Gunnar Hägg) [1] is a graph of the concentrations of the different species of a polyprotic acid in a solution, as a function of pH, [2] when the solution is at ...
For arbitrary stencil points and any derivative of order < up to one less than the number of stencil points, the finite difference coefficients can be obtained by solving the linear equations [6] ( s 1 0 ⋯ s N 0 ⋮ ⋱ ⋮ s 1 N − 1 ⋯ s N N − 1 ) ( a 1 ⋮ a N ) = d !
Chemical graph theory is the topology branch of mathematical chemistry which applies graph theory to mathematical modelling of chemical phenomena. [1] The pioneers of chemical graph theory are Alexandru Balaban, Ante Graovac, Iván Gutman, Haruo Hosoya, Milan Randić and Nenad Trinajstić [2] (also Harry Wiener and others). In 1988, it was ...
The only difference between the two forms of the expression is the quantity used for the activation energy: the former would have the unit joule/mole, which is common in chemistry, while the latter would have the unit joule and would be for one molecular reaction event, which is common in physics.