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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.
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%.
This lists the character tables for the more common molecular point groups used in the study of molecular symmetry. These tables are based on the group-theoretical treatment of the symmetry operations present in common molecules, and are useful in molecular spectroscopy and quantum chemistry. Information regarding the use of the tables, as well ...
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 ...
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.
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 ...
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.
Electron density plot – shows the electron density determined either crystallographically or using quantum mechanics rather than distinct atoms or bonds. Ball and stick – atomic nuclei are represented by spheres (balls) and the bonds as sticks.