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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.
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 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 ...
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.
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 ...
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.
Using point plotting, one associates an ordered pair of real numbers (x, y) with a point in the plane in a one-to-one manner. As a result, one obtains the 2-dimensional Cartesian coordinate system . To be able to plot points, one needs to first decide on a point in plane which will be called the origin , and a couple of perpendicular lines ...
Within chemistry, a Job plot, otherwise known as the method of continuous variation or Job's method, is a method used in analytical chemistry to determine the stoichiometry of a binding event. The method is named after Paul Job and is also used in instrumental analysis and advanced chemical equilibrium texts and research articles.