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In chemical graph theory and in mathematical chemistry, a molecular graph or chemical graph is a representation of the structural formula of a chemical compound in terms of graph theory. A chemical graph is a labeled graph whose vertices correspond to the atoms of the compound and edges correspond to chemical bonds.
The slope of the line between any two points on a Frost diagram gives the standard reduction potential, E°, for the corresponding half-reaction. On the Frost diagram for nitrogen here below, the slope of the straight line between N 2 (at the origin of the plot) and nitrite ( HNO 2 / NO − 2 ) being slightly more pronounced than for nitrate ...
Comet plot : A two- or three-dimensional animated plot in which the data points are traced on the screen. Contour plot : A two-dimensional plot which shows the one-dimensional curves, called contour lines on which the plotted quantity q is a constant. Optionally, the plotted values can be color-coded.
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 ...
This graph is called the "Van 't Hoff plot" and is widely used to estimate the enthalpy and entropy of a chemical reaction. From this plot, − Δ r H / R is the slope, and Δ r S / R is the intercept of the linear fit.
In population genetics, a triangle plot of genotype frequencies is called a de Finetti diagram. In game theory [2] and convex optimization, [3] it is often called a simplex plot. In a ternary plot, the values of the three variables a, b, and c must sum to some constant, K. Usually, this constant is represented as 1.0 or 100%.
A typical titration curve of a diprotic acid, oxalic acid, titrated with a strong base, sodium hydroxide.Both equivalence points are visible. Titrations are often recorded on graphs called titration curves, which generally contain the volume of the titrant as the independent variable and the pH of the solution as the dependent variable (because it changes depending on the composition of the ...
It consists of plotting (α, β) for each term Ax α y β in the equation of the curve. The resulting diagram is then analyzed to produce information about the curve. Specifically, draw a diagonal line connecting two points on the diagram so that every other point is either on or to the right and above it.
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